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Rosetta
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| ►Ncore | A class for reading in the atom type properties |
| ►Nchemical | |
| ►Nbcl | |
| CBCLFragmentHandler | |
| ►Ncarbohydrates | |
| CCarbohydrateInfo | |
| CRootData | |
| CCarbohydrateInfoManager | |
| CLinkageConformerData | Holds conformer data for glycan torsional sampling used by the LinkageConformerMover |
| CSugarModificationsNomenclatureTableRow | A structure for storing information related to the nomenclature of modified sugars |
| ►Ngasteiger | |
| CGasteigerAtomTypeData | |
| CPossibleAtomTypesForAtom | A helper class by which AtomTypes can return all possible atom types for a given atom in a structure that is easily accessed by orbital type |
| CGasteigerAtomTypeSet | A set of Bcl Atom types |
| ►Nio | |
| CMergeAndSplitBehaviorManager | |
| ►Nmainchain_potential | |
| CMainchainScoreTable | |
| ►NmmCIF | |
| CmmCIFParser | |
| ►Nmodifications | |
| CChemistryBase | |
| CReprotonate | |
| ►Norbitals | |
| CAssignOrbitals | |
| CICoorOrbitalData | |
| COrbitalType | |
| COrbitalTypeMapper | |
| COrbitalTypeSet | |
| ►Nrdkit | |
| CRDMolToRestype | |
| CRestypeToRDMolOptions | |
| CRestypeToRDMol | |
| ►Nrings | |
| CRingConformer | A structure for storing information for specific, idealized ring conformers |
| CRingConformerManager | |
| CRingConformerSet | |
| ►Nrna | |
| CGaussianParameter | |
| CRNA_FittedTorsionInfo | |
| CRNA_Info | |
| ►Nrotamers | |
| CBasicRotamerLibrarySpecification | |
| CBasicRotamerLibrarySpecificationCreator | |
| CCenrotRotamerLibrarySpecification | |
| CCenrotRotamerLibrarySpecificationCreator | |
| CDunbrackRotamerLibrarySpecification | |
| CDunbrackRotamerLibrarySpecificationCreator | |
| CNCAARotamerLibrarySpecification | |
| CNCAARotamerLibrarySpecificationCreator | |
| CPDBRotamerLibrarySpecification | |
| CPDBRotamerLibrarySpecificationCreator | |
| CRotamerLibrarySpecification | |
| CRotamerLibrarySpecificationCreator | |
| CRotamerLibrarySpecificationFactory | |
| CRotamerLibrarySpecificationRegistrator | This templated class will register an instance of an RotamerLibrarySpecificationCreator (class T) with the RotamerLibrarySpecificationFactory. It will ensure that no RotamerLibrarySpecification creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CStoredRotamerLibrarySpecification | A class which stores atom coordinates for a rotamer library. Internally, this is stored as a list of name:coordinate maps |
| CStoredRotamerLibrarySpecificationCreator | |
| ►Nsdf | |
| CCtabParserBase | |
| CCtabV2000Parser | |
| CCtabV3000Parser | |
| CBondData | |
| CMolWriter | |
| CMolFileIOAtom | |
| CMolFileIOBond | |
| CMolFileIOMolecule | |
| CMolFileIOReader | |
| CSDFParser | |
| CAdduct | Description of optional single-atom residue adducts |
| CAtom | |
| CICoorAtomID | Atom 's ID in internal coordinates in a ResidueType |
| CAtomICoor | A basic class containing info of internal coordinates needed for building an atom within a ResidueType |
| CAtomProperties | |
| CAtomPropertiesManager | |
| CRefConvert | An internal implementation class, to get around the fact that functions cannot be partially specialized |
| CRefConvert< VD > | |
| CRefConvert< core::Size > | |
| CRefConvert< std::string > | |
| CAtomRefMapping | A class for mapping ResidueType atom references from one to another. It's intended not only for intra ResidueType mapping, but also for mapping corresponding references from one ResidueType to another |
| CAtomType | Basic atom type |
| CAtomTypeDatabaseIO | |
| CAtomTypeSet | Set of AtomTypes |
| CAutomorphismIterator | Enumerates the automorphisms of a residue, which are basically chemical symmetries that affect RMSD calculations |
| CBond | Basic chemical Bond |
| CCacheableResidueTypeSets | A (Pose-cacheable) container for ResidueTypeSets |
| CChemicalManager | Class managing different sets of atom_type_set and residue_type_set |
| CElectronConfiguration | Describes the electron configuration of atoms |
| CElement | Stores element properties |
| CElementSet | A set of Bcl Elements |
| CGlobalResidueTypeSet | A collection of ResidueType defined |
| CRerootRestypeVisitor | |
| CRerootEdgeSorter | Edge sorting: Return true if we should prefer edge1 over edge2 |
| CIdealBondLengthSet | A set of Elements |
| CMetapatch | A class patching basic ResidueType to create variant types, containing multiple PatchCase |
| CMMAtomType | Basic MM atom type |
| CMMAtomTypeSet | A set of MMAtomTypes |
| CMutableChiRecord | A class containing bundled info about chis |
| CMutableICoorRecord | A basic class containing basic info of internal coordinates needed for building an atom within a ResidueType This is a simplified representation, used for MutableResidueType. It contains all the information, but is intended to be somewhat easier to update for added/deleted atoms than the standard AtomICoor |
| CMutableResidueConnection | A simple class marking atoms at inter-residue connections |
| CMutableResidueType | A class for defining a type of residue, modifiable version |
| COrbital | Basic chemical atom |
| CPatchCase | A single case of a patch, eg proline Nterminus is a case of NtermProteinFull |
| CPatch | A class patching basic ResidueType to create variant types, containing multiple PatchCase |
| CPatchOperation | A single operation that needs to be applied in a residue patch |
| CDeleteAtom | Delete an atom |
| CSetBackboneHeavyatom | Set an atom as backbone heavy atom |
| CSetPolymerConnectAtom | Set an atom as polymer connection |
| CAddConnect | |
| CAddProperty | Add a property to ResidueType |
| CDeleteProperty | Delete a property from ResidueType Added by Andy M. Chen in June 2009 This is needed for deleting properties, which occurs in certain PTM's (e.g. methylation) Rewritten by Vikram K. Mulligan on 25 Aug. 2016 to use enums wherever possible for speed |
| CDeleteVariantType | A patch operation for deleting a VariantType from a ResidueType |
| CAddChi | Add a chi angle to ResidueType |
| CAddProtonChi | |
| CRedefineChi | Redefine a chi angle Added by Andy M. Chen in June 2009 This is needed for certain PTMs |
| CDeleteTerminalChi | Delete terminal chi angle Added by Andrew M. Watkins in April 2015 |
| CDeleteMetalbindingAtom | Delete a metal binding atom Added by Andrew M. Watkins in April 2015 |
| CDeleteActCoordAtom | Delete an act coord atom Added by Andrew M. Watkins in April 2015 |
| CAddChiRotamer | Add a rotamer sample to a chi angle of the ResidueType |
| CClearChiRotamers | A patch operation for clearing all rotamer bins from the chi of a ResidueType |
| CAddAtom | Add an atom to ResidueType |
| CAddAtomAlias | A patch operation for adding an atom alias to a ResidueType |
| CAddBond | Add a bond to ResidueType |
| CAddBondType | A patch operation for adding a specific type of bond to a ResidueType |
| CChangeBondType | A patch operation for changing the bond type of a given bond |
| CSetAtomicCharge | Set an atom's charge |
| CSetFormalCharge | A patch operation for setting the formal charge of a ResidueType's atom |
| CSetNetFormalCharge | A patch operation for setting the net formal charge of a whole ResidueType |
| CSetAtomType | Set atom's chemical type |
| CSet_AA | Set residue's aa |
| CSetIO_String | Set residue's name1 and name3 |
| CSetInterchangeabilityGroup_String | Set the interchangeability_group string for a ResidueType |
| CSetMMAtomType | Set atom's MM chemical type |
| CSetICoor | Set an atom's AtomICoord |
| CChangeAncestory | |
| CResetBondLength | A patch operation for resetting the length of a bond within a ResidueType |
| CPrependMainchainAtom | Add a mainchain atom before the first mainchain atom |
| CAppendMainchainAtom | Add a mainchain atom after the last mainchain atom |
| CReplaceMainchainAtom | Replace a mainchain atom |
| CSetNbrAtom | Set the residue neighbor atom |
| CSetNbrRadius | Set the residue neighbor radius |
| CSetAllAtomsRepulsive | Set the residue neighbor radius |
| CSetOrientAtom | Set orient atom selection mode |
| CRemoveRotamerSpecifications | Remove existing rotamer specifications (of any type) |
| CRamaPreproFilename | Set the filenames for RamaPrePro scoring tables |
| CRamaPreproResname | Set the residue name for RamaPrePro scoring tables |
| CNCAARotLibPath | Set the path to a rotamer library for an NCAA that is not in dunbrack |
| CNCAARotLibBBTorsions | Set the mainchain torsion indices that a noncanonical rotamer library depends upon |
| CNCAARotLibNumRotamerBins | Set the number of rotamer bins per chi for an NCAA that is not in dunbrack |
| CConnectSulfurAndMakeVirtualProton | Add a connection to the residue's sulfur and make a virtual proton to track the position of the connection atom |
| CSetBaseName | Alter the base name |
| CChiralFlipNaming | Execute chiral flip (primarily: at CA) |
| CChiralFlipAtoms | Execute chiral flip (primarily: at CA) |
| CReplaceProtonWithTrifluoromethyl | Replace proton with trifluoromethyl |
| CReplaceProtonWithMethyl | Replace proton with methyl |
| CReplaceProtonWithMethoxy | Replace proton with methoxy |
| CReplaceProtonWithEthyl | Replace proton with ethyl |
| CReplaceProtonWithChlorine | Replace proton with chlorine |
| CReplaceProtonWithFluorine | Replace proton with fluorine |
| CReplaceProtonWithBromine | Replace proton with bromine |
| CReplaceProtonWithIodine | Replace proton with iodine |
| CReplaceProtonWithHydroxyl | Replace proton with hydroxyl |
| CAddConnectAndTrackingVirt | Add a connect and tracking virt to the atom |
| CAddConnectDeleteChildProton | Add a connect to the atom, delete child proton |
| CDeleteChildProton | Delete child proton |
| CVirtualizeAll | Virtualize all |
| CVirtualizeSidechain | Virtualize sidechain |
| CSetVirtualShadow | Set virtual shadow atoms |
| CRenameAtom | Rename atom |
| CSetDisulfideAtomName | Set an atom as this residue's disulfide forming atom |
| CAddAtomCreator | |
| CDeleteAtomCreator | |
| CAddAtomAliasCreator | |
| CSetBackboneHeavyatomCreator | |
| CSetDisulfideAtomNameCreator | |
| CSetAACreator | |
| CSetBaseNameCreator | |
| CSetIOStringCreator | |
| CSetInterchangeabilityGroupCreator | |
| CNbrAtomCreator | |
| CNbrRadiusCreator | |
| CAddPropertyCreator | |
| CDeletePropertyCreator | |
| CDeleteVariantTypeCreator | |
| CAddChiCreator | |
| CAddProtonChiCreator | |
| CRedefineChiCreator | |
| CDeleteTerminalChiCreator | |
| CDeleteMetalBindingAtomCreator | |
| CDeleteActCoordAtomCreator | |
| CAddChiRotamerCreator | |
| CClearChiRotamersCreator | |
| CAddBondCreator | |
| CAddBondTypeCreator | |
| CChangeBondTypeCreator | |
| CAddConnectCreator | |
| CSetAtomTypeCreator | |
| CSetMMAtomTypeCreator | |
| CSetFormalChargeCreator | |
| CSetNetFormalChargeCreator | |
| CSetAtomicChargeCreator | |
| CSetPolymerConnectCreator | |
| CSetICOORCreator | |
| CSetAncestorCreator | |
| CResetBondLengthCreator | |
| CPrependMainchainAtomCreator | |
| CAppendMainchainAtomCreator | |
| CReplaceMainchainAtomCreator | |
| CRamaPreproFilenameCreator | |
| CRamaPreproResnameCreator | |
| CRemoveRotamerSpecificationsCreator | |
| CNCAARotlibPathCreator | |
| CNCAARotlibBBTorsionsCreator | |
| CNCAARotlibNumRotamerBinsCreator | |
| CSetNbrAtomCreator | |
| CSetNbrRadiusCreator | |
| CSetOrientAtomCreator | |
| CSetAllAtomsRepulsiveCreator | |
| CConnectSulfurAndMakeVirtualProtonCreator | |
| CReplaceProtonWithChlorineCreator | |
| CReplaceProtonWithFluorineCreator | |
| CReplaceProtonWithBromineCreator | |
| CReplaceProtonWithIodineCreator | |
| CReplaceProtonWithMethylCreator | |
| CReplaceProtonWithTrifluoromethylCreator | |
| CReplaceProtonWithHydroxylCreator | |
| CReplaceProtonWithMethoxyCreator | |
| CReplaceProtonWithEthylCreator | |
| CAddConnectAndDeleteChildProtonCreator | |
| CDeleteChildProtonCreator | |
| CAddConnectAndTrackingVirtCreator | |
| CChiralFlipNamingCreator | |
| CChiralFlipAtomsCreator | |
| CVirtualizeSidechainCreator | |
| CVirtualizeAllCreator | |
| CSetVirtualShadowCreator | |
| CRenameAtomCreator | |
| CPatchOperationCreator | The PatchOperationCreator is responsible for creating a PatchOperation from input line(s) |
| CPatchOperationRegistrator | This templated class will register an instance of an PatchOperationCreator (class T) with the PatchOperationFactory. It will ensure that no PatchOperationCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CPatchOperationFactory | |
| CPoseResidueTypeSet | A ResidueTypeSet which can be cached in the Pose |
| CResConnID | The ResConnID could more properly be called the ResidueConnector. It stores the data necessary to describe how one ResidueConnection on a conformation::Residue is connected to the rest of the structure (Pose), by listing the other Residue's index and the ResidueConnection index |
| CGraphvizPropertyWriter | Callback class for write_graphviz - outputs properties for the nodes and edges |
| CRigidDistanceVisitor | Utility visitor for find_nbr_dist Will only traverse those atoms in the "rigid" portion of graph around the starting atom. "Rigid" includes direct neighbors and atoms connected by non-rotatable bonds e.g. all rings, all double/triple bonds, methyl groups, single atoms, etc |
| CVDDistanceMatrix | Utility class for VD-indexed matrix |
| CResidueConnection | A simple class marking atoms at inter-residue connections |
| CResidueDatabaseIO | |
| CResidueProperties | |
| CRealFilter | @default A filtered graph that doesn't contain fake/virtual atoms and fake/virtual bonds |
| CHeavyAtomFilter | The filter responsible for obtaining all heavy atoms |
| CAcceptorAtomFilter | The filter responsible for obtaining all acceptor atoms |
| CHeavyAtomWithPolarHydrogensFilter | The filter responsible for obtaining all heavy atoms with polar hydrogens attached to them |
| CHeavyAtomWithHydrogensFilter | The filter responsible for finding heavy atoms with hydrogens |
| CHydrogenAtomFilter | The filter responsible for all hydrogens |
| CAromaticAtomFilter | The filter responsible for all aromatic atoms |
| CPolarHydrogenFilter | The filter responsible for all polar hydrogens |
| CAPolarHydrogenFilter | The filter responsible for all apolar hydrogens |
| CCopyVertex | |
| CCopyEdge | |
| CResidueType | A class for defining a type of residue |
| CResidueTypeBase | A base class for definiting types of residues |
| CResidueTypeFinder | |
| CResidueTypeKinWriter | |
| CResidueTypeSelectorSingle | A base class for defining a ResidueTypeSelector by a single criterion |
| CSelector_AA | Does the residue belong to ANY of these AAs? |
| CSelector_CMDFLAG | Is a certain string in the command-line option -chemical:allow_patch present ? this selector does actually not depend on the residuetype it is queried for |
| CSelector_BASENAME | Does the residue have to ANY of these basenames? |
| CSelector_NAME3 | Does the residue have ANY of these three-letter codes? |
| CSelector_HAS_ATOMS | Does the residue have ALL of the listed atoms?: |
| CSelector_PROPERTY | Does the residue have ANY of these properties? |
| CSelector_VARIANT_TYPE | Does the residue have ANY of variant types? |
| CSelector_UPPER_ATOM | Does the main chain of this residue follow from the given position label? |
| CSelector_MATCH_VARIANTS | Does the residue have ALL of the variant types and no more |
| CSelector_NO_VARIANTS | Does the residue have NO variant types? |
| CSelector_NAME1 | Does the residue belong to ANY of these one-letter codes? |
| CResidueTypeSelector | A class picking out a subset of ResidueType by multiple criteria |
| CResidueTypeSet | An abstract interface to a set of ResidueTypes |
| CResidueTypeSetCache | |
| CRestypeDestructionEvent | Special signal that the ResidueType is getting destroyed |
| ►Nconformation | |
| ►Ncarbohydrates | |
| CGlycanNode | Class to store info a node (residue) within a glycan tree |
| CGlycanTree | Class to store info a glycan tree |
| CGlycanTreeSet | Class to store info on all glycan trees of a pose |
| CGlycanTreeSetObserver | The CacheablePoseObserver version of GlycanTreeSet that will react to pose length changes. |
| ►Nmembrane | |
| ►Nmembrane_geometry | |
| CBicelle | |
| CDoubleVesicle | |
| CSlab | |
| CVesicle | |
| CAqueousPoreParameters | A class for defining an aqueous pore |
| CEXCN_Membrane | Parent Exception - Exception Membrane |
| CEXCN_Resource_Definition | Resource Manager Exception |
| CEXCN_Illegal_Arguments | |
| CEXCN_Membrane_Bounds | Membrane Out of Bounds Exception |
| CEXCN_VirtualRsd | Virtual Residue Definition Exception |
| CEXCN_NonMembrane | Non Membrane Pose Exception |
| CEXCN_MembraneFoldTree | Fold tree Exception for membrane proteins |
| CImplicitLipidInfo | Definition of an implicit membrane with parameters for different lipid compositions |
| CMembraneGeometry | Data describing the geometry of the membrane |
| CMembraneInfo | Data describing the relationship between protein(s) and a membrane environment |
| CSpan | |
| CSpanningTopology | |
| ►Norbitals | |
| COrbitalXYZCoords | |
| ►Nparametric | |
| CBooleanValuedParameter | BooleanValuedParameter class, used to store a single Boolean-valued parameter for parametric backbone generation |
| CParameter | Parameter class, used to store a single parameter for parametric backbone generation |
| CParameters | Parameters class, used to store sets of parameters for parametric backbone generation |
| CParametersSet | ParametersSet class, used to store sets of parameters for parametric backbone generation |
| CParameterizationCalculatorProperties | |
| CParametrizationCalculator | ParametrizationCalculator class, used for parametric backbone generation |
| CRealValuedParameter | RealValuedParameter class, used to store a single real-valued parameter for parametric backbone generation |
| CRealVectorValuedParameter | RealVectorValuedParameter class, used to store a single vector-valued parameter for parametric backbone generation |
| CSizeValuedParameter | SizeValuedParameter class, used to store a single core::Size-valued parameter for parametric backbone generation |
| CSizeVectorValuedParameter | SizeVectorValuedParameter class, used to store a single utility::vector1<core::Size>-valued parameter for parametric backbone generation |
| ►Nsignals | |
| CConnectionEvent | Signal a change in the connection with a Conformation object, e.g. destruction or transfer |
| CGeneralEvent | Signals a general change in a Conformation |
| CIdentityEvent | Signals a change in residue identity in a Conformation |
| CLengthEvent | Signals a change in length of residues in a Conformation |
| CXYZEvent | Signals a change in XYZ coordinates in a Conformation |
| ►Nsymmetry | |
| CMirrorSymmetricConformation | Mirror symmetric conformation contains the same symminfo logic, but also includes special logic for mirror symmetries |
| CSymDof | |
| CSymmData | |
| CSymmDataLoader | |
| CSymmDataLoaderCreator | |
| CSymmetricConformation | A symmetric conformation: has an additional data member "SymmetryInfo" class |
| CSymmetryInfo | |
| CSymmetryTransform | |
| CSymSlideInfo | |
| CVirtualCoordinate | |
| CAbstractRotamerTrie | |
| CAtom | |
| CAtomGraphVertexData | |
| CAtomGraphEdgeData | |
| CConformation | A container of Residues and the kinematics to manage them |
| CDefaultCubeHash | Uses default boost::hash combine to hash Cubes |
| CAddEdgeVisitor | |
| CPointGraphVertexData | |
| CPointGraphEdgeData | |
| CPseudoBond | |
| CPseudoBondCollection | |
| CResidue | Instance Residue class, used for placed residues and rotamers |
| CResidueFactory | Collection of functions making a single residue |
| CResidueKinWriter | |
| CConformationKinWriter | |
| CResidueMatcher | |
| CWatsonCrickResidueMatcher | |
| CExactResidueMatcher | |
| CRotamerSetBase | |
| CUltraLightResidue | |
| ►Nenergy_methods | |
| ►Ndfire | |
| CDFIRE_Energy | |
| CDFIRE_EnergyCreator | |
| CAACompositionEnergy | AACompositionEnergy, an energy function to penalize stretches of the same residue, derived from base class for EnergyMethods, which are meaningful only on entire structures. These EnergyMethods do all of their work in the "finalize_total_energy" section of score function evaluation |
| CAACompositionEnergyCreator | |
| CAARepeatEnergy | AARepeatEnergy, an energy function to penalize stretches of the same residue, derived from base class for EnergyMethods, which are meaningful only on entire structures. These EnergyMethods do all of their work in the "finalize_total_energy" section of score function evaluation |
| CAARepeatEnergyCreator | |
| CAbego | |
| CAbegoEnergyCreator | |
| CArgCationPiEnergy | |
| CArgCationPiEnergyCreator | |
| CAromaticBackboneRestraintEnergy | |
| CAromaticBackboneRestraintEnergyCreator | |
| CAspartimidePenaltyEnergy | |
| CAspartimidePenaltyEnergyCreator | |
| CBranchEnergy | BranchEnergy class iterates across all residues in finalize() and determines a penalty between residues i and i+1 across a cutpoint by how much their virtual atoms do not align |
| CBranchEnergyCreator | |
| CBurial_v2Energy | |
| CBurial_v2EnergyCreator | |
| CBurialEnergy | |
| CBurialEnergyCreator | |
| CResidueCartBondedParameters | |
| CIdealParametersDatabase | |
| CCartesianBondedEnergy | |
| CCartesianBondedEnergyCreator | |
| CCCS_IMMSEnergy | |
| CCCS_IMMSEnergyCreator | |
| CCenHBEnergy | |
| CCenHBEnergyCreator | |
| CCenPairEnergy | |
| CCenPairEnergyCreator | |
| CCenPairMotifDegreeEnergy | |
| CCenPairMotifDegreeEnergyCreator | |
| CCenPairMotifEnergy | |
| CCenPairMotifEnergyCreator | |
| CCenRotEnvEnergy | |
| CCenRotEnvEnergyCreator | |
| CCenRotPairEnergy | |
| CCenRotPairEnergyCreator | |
| CCentroidDisulfideEnergy | |
| CCentroidDisulfideEnergyCreator | |
| CChainbreakEnergy | ChainbreakEnergy class iterates across all residues in finalize() and determines a penalty between residues i and i+1 across a cutpoint by how much their virtual atoms do not align |
| CChainbreakEnergyCreator | |
| CChemicalShiftAnisotropyEnergy | |
| CChemicalShiftAnisotropyEnergyCreator | |
| CContactOrderEnergy | |
| CContactOrderEnergyCreator | |
| CContextDependentGeometricSolEnergy | |
| CContextDependentGeometricSolEnergyCreator | |
| CContextIndependentGeometricSolEnergy | |
| CContextIndependentGeometricSolEnergyCreator | |
| CCovalentLabelingEnergy | |
| CCovalentLabelingEnergyCreator | |
| CCovalentLabelingFAEnergy | |
| CCovalentLabelingFAEnergyCreator | |
| CCustomAtomPairEnergy | |
| CCustomAtomPairEnergyCreator | |
| CD2H_SA_Energy | |
| CD2H_SA_EnergyCreator | |
| CDEEREnergy | |
| CDEEREnergyCreator | |
| CCacheableSasaVector | |
| CDEPC_MS_Energy | |
| CDEPC_MS_EnergyCreator | |
| CDipolarCouplingEnergy | |
| CDipolarCouplingEnergyCreator | |
| CDirectReadoutEnergy | Implementation of Kono and Sarai's knowledge-based protein-DNA interaction energy |
| CDirectReadoutEnergyCreator | |
| CDistanceChainbreakEnergy | DistanceChainbreakEnergy class iterates across all residues in finalize() and determines the penalty between residues i and i+1 by how far apart their N and C atom are |
| CDistanceChainbreakEnergyCreator | |
| CDisulfideMatchingEnergy | |
| CDisulfideMatchingEnergyCreator | |
| CDNA_BaseEnergy | |
| CDNA_BaseEnergyCreator | |
| CDNA_DihedralEnergy | |
| CDNA_DihedralEnergyCreator | |
| CDNA_EnvPairEnergy | Implementation of env and pair terms for protein-DNA interactions |
| CDNA_EnvPairEnergyCreator | |
| CDNA_ReferenceEnergy | |
| CDNA_ReferenceEnergyCreator | |
| CDNAChiEnergy | |
| CDNAChiEnergyCreator | |
| CDNATorsionEnergy | |
| CDNATorsionEnergyCreator | |
| CDumpTrajectoryEnergy | DumpTrajectoryEnergy, a util_method that allows one to dump rosetta trajectories through the use of the dump_trajectory ScoreType |
| CDumpTrajectoryEnergyCreator | |
| CElecDensAllAtomCenEnergy | |
| CElecDensAllAtomCenEnergyCreator | |
| CPoseSequence | |
| CElecDensAtomwiseEnergy | |
| CElecDensAtomwiseEnergyCreator | |
| CElecDensCenEnergy | |
| CElecDensCenEnergyCreator | |
| CElecDensEnergy | |
| CElecDensEnergyCreator | |
| CEnvEnergy | |
| CEnvEnergyCreator | |
| CEnvSmoothEnergy | |
| CEnvSmoothEnergyCreator | |
| CGridInfo | |
| CWaterWeightGridSet | |
| CExactOccludedHbondSolEnergy | |
| CExactOccludedHbondSolEnergyCreator | |
| CFA_ElecEnergyAroAll | |
| CFA_ElecEnergyAroAllCreator | |
| CFA_ElecEnergyAroAro | |
| CFA_ElecEnergyAroAroCreator | |
| CFAElecContextData | |
| CFA_GrpElecEnergy | |
| CFA_GrpElecEnergyCreator | |
| CFa_MbenvEnergy | |
| CFa_MbenvEnergyCreator | |
| CFa_MbsolvEnergy | |
| CFa_MbsolvEnergyCreator | |
| CFACTSEnergy | |
| CFACTSEnergyCreator | |
| CFaMPAsymEzCBEnergy | Implementation of full-atom Membrane asymmetric EZ potential for the CB atom See Schramm et al 2012 Structure for full details on derivation Statistically derived and calculated derivatives; lookup table based on the Z-coordinate 1A bin sizes for -30:30A with a membrane center of 0 |
| CFaMPAsymEzCBEnergyCreator | Asym EZ potential for CB Creator Class |
| CFaMPAsymEzCGEnergy | Implementation of full-atom Membrane asymmetric EZ potential for the CG atom See Schramm et al 2012 Structure for full details on derivation Statistically derived and calculated derivatives; lookup table based on the Z-coordinate 1A bin sizes for -30:30A with a membrane center of 0 |
| CFaMPAsymEzCGEnergyCreator | Asym EZ potential for CG Creator Class |
| CFaMPEnvEnergy | Fullatom Membrane Environment Energy |
| CFaMPEnvEnergyCreator | Creator Class for Membrane CBeta Energy Method |
| CFaMPEnvSmoothEnergy | Fullatom Membrane Solvation Energy - Statistically Derived, and smoothed derivatives |
| CFaMPEnvSmoothEnergyCreator | Membrane Termini Penalty Creator Class |
| CFaMPSolvEnergy | Energy Method: Membrane Fullaotm Solvation Energy (LK) |
| CFaMPSolvEnergyCreator | Creator Class for Membrane CBeta Energy Method |
| CFastDensEnergy | |
| CFastDensEnergyCreator | |
| CFastSAXSEnergy | |
| CFastSAXSEnergyCreator | |
| CFiberDiffractionEnergy | |
| CFiberDiffractionEnergyCreator | |
| CFiberDiffractionEnergyDens | |
| CFiberDiffractionEnergyDensCreator | |
| CFreeDOF_Energy | |
| CFreeDOF_EnergyCreator | |
| CDisulfMinData | |
| CFullatomDisulfideEnergy | |
| CFullatomDisulfideEnergyCreator | |
| CGaussianOverlapEnergy | |
| CGaussianOverlapEnergyCreator | |
| CGenBornEnergy | |
| CGenBornEnergyCreator | |
| CGenericBondedEnergy | |
| CGenericBondedEnergyCreator | |
| CGoapRsdType | |
| CGoapEnergy | |
| CGoapEnergyCreator | |
| CHackAroEnergy | |
| CHackAroEnergyCreator | |
| CHolesEnergy | |
| CHolesEnergyCreator | |
| CHRF_MSLabelingEnergy | |
| CHRF_MSLabelingEnergyCreator | |
| CHRFDynamicsEnergy | |
| CHRFDynamicsEnergyCreator | |
| CHybridVDW_Energy | |
| CHybridVDW_EnergyCreator | |
| CHydroxylTorsionEnergy | |
| CHydroxylTorsionEnergyCreator | |
| CImplicitMembraneCoulomb | Minimal class for computing the depth- and membrane-dependent electrostatics energy |
| CImplicitMembraneElecEnergy | Energy method for computing the depth- and membrane-dependent electrostatics energy The Two Body Energy Method specifies an interface for all two body methods: both long and short range, both context dependent and independent. Any two body method must implement this interface as well as the EnergyMethod interface |
| CImplicitMembraneElecEnergyCreator | |
| CIntermolEnergy | |
| CIntermolEnergyCreator | |
| CLinearBranchEnergy | LinearBranchEnergy class iterates across all residues in finalize() and determines the penalty between branch-connected residues by how much their psueduo atoms do not align (if they have them) |
| CLinearBranchEnergyCreator | |
| CLinearChainbreakEnergy | LinearChainbreakEnergy class iterates across all residues in finalize() and determines the penalty between residues i and i+1 by how much their psueduo atoms do not align |
| CLinearChainbreakEnergyCreator | |
| CLK_SigmoidalFunc | |
| CLK_hack | |
| CLK_hackCreator | |
| CLK_PolarNonPolarEnergy | |
| CLK_PolarNonPolarEnergyCreator | |
| CLoopCloseEnergy | |
| CLoopCloseEnergyCreator | |
| CMembraneCbetaEnergy | |
| CMembraneCbetaEnergyCreator | |
| CMembraneCenPairEnergy | |
| CMembraneCenPairEnergyCreator | |
| CMembraneEnvEnergy | |
| CMembraneEnvEnergyCreator | |
| CMembraneEnvPenalties | |
| CMembraneEnvPenaltiesCreator | |
| CMembraneEnvSmoothEnergy | |
| CMembraneEnvSmoothEnergyCreator | |
| CMembraneLipo | |
| CMembraneLipoCreator | |
| CMgEnergy | |
| CMgEnergyCreator | |
| CScoreCache | A cache of epitope scores (considered and commited) at each position, to enable efficient updating of only those scores affected by a substitution during annealing |
| CMHCEpitopeEnergy | |
| CMHCEpitopeEnergyCreator | |
| CMissingEnergy | |
| CMissingEnergyCreator | |
| CMotifDockEnergy | |
| CMotifDockEnergyCreator | |
| CMPCbetaEnergy | Membrane Environemnt CBeta Energy Term |
| CMPCbetaEnergyCreator | Creator Class for Membrane CBeta Energy Method |
| CMPEnvEnergy | Mmebrane Environemnt Energy Term |
| CMPEnvEnergyCreator | Creator Class for Membrane CBeta Energy Method |
| CMPHelicalityEnergy | Fullatom Membrane Solvation Energy - Statistically Derived, and smoothed derivatives |
| CMPHelicalityEnergyCreator | Membrane Termini Penalty Creator Class |
| CMPPairEnergy | Membrane Environemtn Residue Pair Energy Term |
| CMPPairEnergyCreator | Creator Class for Membrane Residue Pair Energy Method |
| CMPResidueLipophilicityEnergy | Fullatom Membrane Solvation Energy - Statistically Derived, and smoothed derivatives |
| CMPResidueLipophilicityEnergyCreator | Membrane Termini Penalty Creator Class |
| CMPSpanAngleEnergy | |
| CMPSpanAngleEnergyCreator | |
| CMPSpanInsertionEnergy | |
| CMPSpanInsertionEnergyCreator | |
| CMultipoleElecResPairMinData | |
| CMultipoleElecEnergy | |
| CMultipoleElecEnergyCreator | |
| CNetChargeEnergy | NetChargeEnergy, an energy function to penalize stretches of the same residue, derived from base class for EnergyMethods, which are meaningful only on entire structures. These EnergyMethods do all of their work in the "finalize_total_energy" section of score function evaluation |
| CNetChargeEnergyCreator | |
| CNPDHBondEnergy | First pass implementation; somewhat ineffecient. The NPDHbondEnergy will cache a map of all hbonds by donor and acceptor in the Pose during setup_for_scoring, and will then retrieve these values during calls to residue_pair_energy. Doesn't work properly for packing |
| CNPDHBondEnergyCreator | |
| COccludedHbondSolEnergy | |
| COccludedHbondSolEnergy_onebody | |
| COccludedHbondSolEnergy_onebodyCreator | |
| COccludedHbondSolEnergyCreator | |
| COmegaTetherEnergy | |
| COmegaTetherEnergyCreator | |
| COtherPoseEnergy | |
| COtherPoseEnergyCreator | |
| CP_AA_Energy | |
| CP_AA_EnergyCreator | |
| CP_AA_pp_Energy | |
| CP_AA_pp_EnergyCreator | |
| CP_AA_ss_Energy | |
| CP_AA_ss_EnergyCreator | |
| CPackStatEnergy | |
| CPackStatEnergyCreator | |
| CPairEnergy | |
| CPairEnergyCreator | |
| CPeptideBondEnergy | PeptideBondEnergy class iterates across all residues in finalize() and determines the penalty between residues i and i+1 by the distance the C-N bond. Evantually I'd also like to add bond angle constraints as well, but that's handled by OmegaTether at the moment |
| CPeptideBondEnergyCreator | |
| CpHEnergy | |
| CpHEnergyCreator | |
| CPointWaterEnergy | |
| CPointWaterEnergyCreator | |
| CPBLifetimeCache | |
| CPoissonBoltzmannEnergy | |
| CPoissonBoltzmannEnergyCreator | |
| CProClosureEnergy | |
| CProClosureEnergyCreator | |
| CProQ_Energy | |
| CProQ_EnergyCreator | |
| CRamachandranEnergy | |
| CRamachandranEnergy2B | |
| CRamachandranEnergy2BCreator | |
| CRamachandranEnergyCreator | |
| CRamaPreProEnergy | |
| CRamaPreProEnergyCreator | |
| CReferenceEnergy | |
| CReferenceEnergyCreator | |
| CReferenceEnergyNoncanonical | |
| CReferenceEnergyNoncanonicalCreator | |
| CResidualDipolarCouplingEnergy | |
| CResidualDipolarCouplingEnergy_Rohl | |
| CResidualDipolarCouplingEnergy_RohlCreator | |
| CResidualDipolarCouplingEnergyCreator | |
| CRG_MinData | |
| CRG_Energy_Fast | |
| CRG_Energy_FastCreator | |
| CRG_Energy_RNA | |
| CRG_Energy_RNACreator | |
| CRG_Local_MinData | |
| CRG_LocalEnergy | |
| CRG_LocalEnergyCreator | |
| CRingClosureEnergy | |
| CRingClosureEnergyCreator | |
| CRMS_Energy | |
| CRMS_EnergyCreator | |
| CRNA_BulgeEnergy | |
| CRNA_BulgeEnergyCreator | |
| CRNA_ChemicalMappingEnergy | |
| CRNA_ChemicalMappingEnergyCreator | |
| CRNA_ChemicalShiftEnergy | |
| CRNA_ChemicalShiftEnergyCreator | |
| CRNA_CoarseDistEnergy | Score two-body energies in coarse RNA poses between P, S, and CEN using a statistical potential. The Two Body Energy Method specifies an interface for all two body methods: both long and short range, both context dependent and independent. Any two body method must implement this interface as well as the EnergyMethod interface |
| CRNA_CoarseDistEnergyCreator | |
| CRNA_DataBackboneEnergy | |
| CRNA_DataBackboneEnergyCreator | |
| CRNA_FA_ElecEnergy | |
| CRNA_FA_ElecEnergyCreator | |
| CRNA_FullAtomStackingEnergy | |
| CRNA_FullAtomStackingEnergyCreator | |
| CRNA_FullAtomVDW_BasePhosphate | |
| CRNA_FullAtomVDW_BasePhosphateCreator | |
| CRNA_JR_SuiteEnergy | |
| CRNA_JR_SuiteEnergyCreator | |
| CRNA_LJ_BaseEnergy | |
| CRNA_LJ_BaseEnergyCreator | |
| CRNA_MgPointEnergy | |
| CRNA_MgPointEnergyCreator | |
| CRNA_PairwiseLowResolutionEnergy | |
| CRNA_PairwiseLowResolutionEnergyCreator | |
| CRNA_PartitionEnergy | |
| CRNA_PartitionEnergyCreator | |
| CRNA_StubCoordinateEnergy | |
| CRNA_StubCoordinateEnergyCreator | |
| CRNA_SugarCloseEnergy | |
| CRNA_SugarCloseEnergyCreator | |
| CRNA_SuiteEnergy | |
| CRNA_SuiteEnergyCreator | |
| CRNA_TorsionEnergy | |
| CRNA_TorsionEnergyCreator | |
| CRNA_VDW_Energy | |
| CRNA_VDW_EnergyCreator | |
| CRNP_LowResEnergy | |
| CRNP_LowResEnergyCreator | |
| CRNP_LowResPairDistEnergy | |
| CRNP_LowResPairDistEnergyCreator | |
| CRNP_LowResStackEnergy | |
| CRNP_LowResStackEnergyCreator | |
| CSA_Energy | |
| CSA_EnergyCreator | |
| CSASAEnergy | |
| CSASAEnergyCreator | |
| CSAXSEnergy | |
| CSAXSEnergyCEN | |
| CSAXSEnergyCreator | |
| CSAXSEnergyCreatorCEN | |
| CSAXSEnergyCreatorFA | |
| CSAXSEnergyFA | |
| CSecondaryStructureEnergy | |
| CSecondaryStructureEnergyCreator | |
| CSequenceDependentRefEnergy | |
| CSequenceDependentRefEnergyCreator | |
| CSmoothCenPairEnergy | |
| CSmoothCenPairEnergyCreator | |
| CSmoothEnvEnergy | |
| CSmoothEnvEnergyCreator | |
| CSplitUnfoldedTwoBodyEnergy | |
| CSplitUnfoldedTwoBodyEnergyCreator | |
| CSSElementMotifContactEnergy | |
| CSSElementMotifContactEnergyCreator | |
| CStackElecEnergy | |
| CStackElecEnergyCreator | |
| CSuckerEnergy | |
| CSuckerEnergyCreator | |
| CSugarBackboneEnergy | |
| CSugarBackboneEnergyCreator | EnergyMethodCreator allowing the core::scoring::ScoringManager to create a SugarBackboneEnergy method class |
| CSurfEnergy | |
| CSurfEnergyCreator | |
| CSurfVolEnergy | |
| CSurfVolEnergyCreator | |
| CSymmetricLigandEnergy | |
| CSymmetricLigandEnergyCreator | |
| CTNA_SuiteEnergy | |
| CTNA_SuiteEnergyCreator | |
| CUnfoldedStateEnergy | |
| CUnfoldedStateEnergyCreator | |
| CVdWTinkerResPairMinData | |
| CVdWTinkerEnergy | |
| CVdWTinkerEnergyCreator | |
| CWaterAdductHBondEnergy | |
| CWaterAdductHBondEnergyCreator | |
| CWaterAdductIntraEnergy | |
| CWaterAdductIntraEnergyCreator | |
| CWaterSpecificEnergy | |
| CWaterSpecificEnergyCreator | |
| CXtalMLEnergy | |
| CXtalMLEnergyCreator | |
| CYHHPlanarityEnergy | |
| CYHHPlanarityEnergyCreator | |
| ►Nenvironment | |
| CDofPassport | |
| CEnvCore | |
| CEXCN_Env_Exception | |
| CEXCN_FTSketchGraph | |
| ►CFoldTreeSketch | |
| CNode | |
| CLocalPosition | |
| CLengthChecker | |
| CSequenceAnnotation | |
| ►Nenzymes | |
| CEnzymeData | A structure for storing reaction information for specific virtual enzymes |
| CEnzymeManager | |
| ►Nfragment | |
| ►Npicking_old | |
| ►Nconcepts | |
| CBook | Forward declaration for Book |
| CBook_VallResidues | |
| CExtent | Forward declaration for Extent |
| CLibrarian | Forward declaration for core::fragment::picking_old::concepts::Librarian |
| CLibrarian_VallFragmentScore_VallFragmentEval_VallFragmentGen_VallLibrary | |
| CLibrary | Forward declaration for Library |
| CLibrary_VallSections | |
| ►Nvall | |
| ►Neval | |
| CABEGOEval | Scores a fragment based on sum of secondary structure identity and sequence identity |
| CEnergyEval | Scores a fragment by inserting its backbone angles into a Pose and evaluating its energy using a given ScoreFunction |
| CIdentityEval | Scores a fragment based on sum of secondary structure identity and sequence identity |
| CVallFragmentEval | Base class for Vall ExtentEvaluator |
| ►Ngen | |
| CLengthGen | Default constant length fragment Vall ExtentGenerator |
| CSecStructGen | Generator that requires fragments to have a specific secondary structure string |
| CVallFragmentGen | Base class Vall ExtentGenerator |
| ►Nscores | |
| CVallFragmentScore | Base Vall FragmentScore struct |
| CVallLibrarian | Librarian that picks fragments from the Vall |
| CVallLibrary | Vall fragment library |
| CVallResidue | Class for managing a line of the Vall fragment library |
| CVallResidues | Wrapper for a collection of VallResidue |
| CVallSection | Class implementing the Book concept for a continuous section of lines in the Vall library |
| CVallSections | Wrapper for a collection of VallSection |
| CFragmentLibraryManager | Singleton class for accessing fragment libraries |
| ►Nrna | |
| CFragmentLibrary | |
| CFullAtomRNA_Fragments | |
| CRNA_FragmentHomologyExclusion | |
| CRNA_Fragments | |
| CTorsionSet | |
| CBaseCacheUnit | |
| CBBTorsionAndAnglesSRFD | |
| CBBTorsionSRFD | |
| CConstantLengthFragSet | A set of fragments that contains fragments of a constant length read in from a fragment file |
| CConstantLengthFragSetIterator_ | |
| CFragCache | |
| CMapCacheUnit | |
| CVectorCacheUnit | |
| CCacheWrapper | |
| CFragStore | |
| CFragData | |
| CAnnotatedFragData | FragData that contains additional information |
| CFragID | |
| CFragID_Iterator | |
| CFragFactory | |
| CFragmentIO | |
| CFragmentRmsd | |
| CFragmentSetLoader | FragmentSetLoader constructs a FragSet instance from data provided by the ResourceManager |
| CFragmentSetLoaderCreator | FragmentSetLoaderCreator allows the ResourceLoaderFactory to create a FragmentSetLoader instance, which in turn can load a FragmentSet |
| CFragSet | @detail The FragSet: (Interface Definition – Virtual BaseClass ) |
| CFragSetCollection | |
| CFrame | Frame couples a list of FragData-instances to a certain alignment frame, i.e., position in sequence space @detail A frame may be continous, i.e., its fragment data will be applied to all residues between start() and end() or ( in a specialized version inheriting this interface) may contain a loose list of sequence positions |
| CConstFrameIterator | |
| CFrameIterator | |
| CFrameIteratorWorker_ | |
| CFrameList | |
| CFrameListIterator_ | |
| CIndependentBBTorsionSRFD | A version of BBTorsionSRFD that considers each torsion independently during is_applicable() and apply() calls when passed a MoveMap (vs the all-torsions-must-be-moveable-or-nothing-is behavior in the original BBTorsionSRFD) |
| CNonContinuousFrame | JumpingFrame is a discontinuous frame i.e, the SRFDs stored in the FragData objects can be applied to residues anywhere a 5 7 9 Frame of a FragData containing three BBTorsionSRFDs would change torsions of 5 7 9 a 5 32 2 Frame of a FragData containing two BBTorsionSRFD and on JumpSRFD would change torsions of 5 and 32 and the RT of jump_nr 2 note that in the latter case the 2 is not coding for a residue number! |
| CJumpingFrame | JumpingFrame, so far there is nothing special about JumpingFrames. but I think we might want to have additionally information like the start and end residues that belong to a certain jump_nr.! okay: right now I require that the creator of a JumpingFrame sets start to the start-residue of the jump |
| CUpJumpSRFD | |
| CDownJumpSRFD | |
| Ctorsions | |
| CMinimalFragSet | |
| CMinimalFragSetIterator_ | |
| COrderedFragSet | |
| COrderedFragSetIterator_ | |
| CSecondaryStructure | Tiny helper class that knows the relative fractions of secondary structure L,H,E @detail so far these fractions can be computed from a FragSet other input strategies are conceivable but not implemented, yet: eg. psipred files, a bunch of poses, |
| CSecstructSRFD | |
| CSingleResidueFragData | Base class for SRFD classes @detail Instances of SRFD classes contain information on specific dofs in a single residue or a jump connected to a residue The classes' apply method will now how to implement the specified dofs in the give pose at the given residue position |
| ►Ngrid | |
| CCartGrid | |
| ►Nid | |
| CAtomID | Atom identifier class. Defined by the atom number and the residue number |
| CBondID | Two more classes, temporary for testing purposes |
| CStubID | |
| CAtomID_Map | Map from Atom identifiers to contained values class |
| CAtomID_Map_bool | |
| CAtomID_Map_Real | |
| CAtomID_Map_AtomID | |
| CCacheableAtomID_MapVector | AtomID_Map< xyzVector< Real > > |
| CDOF_ID | Kinematics DOF identifier class |
| CDOF_ID_Map | Map from Atom DOF identifiers to contained values class |
| CDOF_ID_Range | Kinematics DOF identifier (with range) class |
| CEXCN_AtomNotFound | |
| CJumpID | |
| CNamedAtomID | Atom identifier class |
| CNamedAtomID_Map | Map from Atom identifiers to contained values class |
| CNamedAtomID_Map_NamedAtomID | |
| CNamedStubID | |
| CPartialAtomID | Partial atom identifier class. Defined by an atom index and a residue number, or by an inter-residue-connection index, the number of bonds away from the inter-residue-connection atom, and a residue number |
| CSequenceMapping | |
| CTorsionID | Torsion identifier class |
| CTorsionID_Range | Kinematics DOF identifier (with range) class |
| ►Nimport_pose | |
| ►Natom_tree_diffs | |
| CScoreLessThanComparator | Provides a StrictWeakOrdering comparator for sorting elements of a ScoresMap by one particular score type |
| CAtomTreeDiff | An object wrapper for reading atom_tree_diff files, complete with embedded reference structures |
| ►Nlibraries | |
| CBasePairStepSequence | |
| CBasePairStepLibrary | |
| CChunkSet | |
| CRNA_ChunkLibrary | |
| CBasePairType | |
| CRNA_PairingTemplate | |
| CRNA_JumpLibrary | |
| CRNA_LibraryManager | Holds all libraries relevant to FARFAR as CONST copies: |
| ►Noptions | |
| CRNA_BasicOptions | |
| CRNA_DeNovoProtocolOptions | |
| CRNA_FragmentMonteCarloOptions | |
| CRNA_MinimizerOptions | |
| ►Npose_stream | |
| CExtendedPoseInputStream | |
| CLazySilentFilePoseInputStream | |
| CMetaPoseInputStream | |
| CPDBPoseInputStream | |
| CPoseInputStream | |
| CSilentFilePoseInputStream | |
| CFullModelPoseBuilder | |
| CImportPoseOptions | This class contains all of the data which is used in the process of reading a PDB into a Pose. There is actually a substantial amount of data! |
| CPDBSilentStruct | |
| CPDBSilentStructCreator | Creator for the PDBSilentStruct class |
| CPoseResource | |
| CPoseResourceLoader | |
| CPoseResourceLoaderCreator | |
| CRNA_BasePairHandler | |
| CRNA_DeNovoParameters | |
| CRNA_DeNovoSetup | |
| CRNA_HelixAssembler | The RNA de novo structure modeling protocol |
| CRNA_JumpMover | |
| ►Ninit | |
| Cpre_talaris_2013_behavior_settings | |
| ►Nio | |
| ►Nexternal | |
| CPsiPredResult | |
| CPsiPredInterface | |
| ►Nmmtf | |
| CExtraDataEnumManager | Enum string/enum functions for pose extra data we will be storing/retrieving. ALL enums must be defined in mmtf/ExtraDataEnum.hh |
| Csd_index | Storage for indicies to something in a mmtf struct this makes it easier to iterate the struct in relation to AtomInformation vectors |
| Cai_cmp | Simple comparator for AtomInformation when grouping by residue/grp |
| ►Nnmr | |
| CAtomSelection | |
| CParaIon | |
| CParamagneticDatabaseHandler | |
| CSpinlabelDatabaseEntry | |
| CSpinlabelDatabaseHandler | |
| ►Npdb | |
| CField | |
| CRecordCollection | |
| ►Npose_from_sfr | |
| CGeometricRenameIsomorphismCallback | |
| CGeometricRenameVerticiesEquivalent | Will consider two verticies equivalent if they have the same element |
| CGraphvizPropertyWriter | Callback class for writing graphviz info |
| CPoseFromSFRBuilder | The PoseFromSFRBuilder is responsible for taking a partially-processed representation of a structure file, a structure-file repersentation or StructFileRep, and it constructs a Pose from it. Its primary output is a Pose, but it also keeps track of the "missing atoms:" the set of atoms in the Pose whose coordinates were not given in the original file |
| ►Npose_to_sfr | |
| CPoseToStructFileRepConverter | A class to convert a pose to a StructFileRep |
| ►NPositionDdGInfo | |
| CPositionDdGInfo | Small helper class that stores the ddGs for mutations at a given position. camel case gets weird when trying to write words containing ddG.. |
| ►Nraw_data | |
| CDecoyFileData | |
| CDecoyStruct | |
| ►CDisulfideFile | Parses and stores a disulfide file |
| CResNum | Residue of either pdb or rosetta numbering |
| ►CRawFileData | Abstract base class for classes that writes different types of silent-files that contain a mixture of Struct objects which are expected to be uniquely identified by some sort of string-based tag |
| Cconst_iterator | Const_iterator class for RawFileData container |
| Citerator | Iterator class for RawFileData container |
| CRawStruct | |
| CScoreFileData | |
| CScoreMap | |
| CScoreStructJSON | |
| CScoreStructText | |
| ►Nrna | |
| CRDAT | |
| CRNA_DataReader | |
| ►Nsequence_comparation | |
| CDesignContrast | DesignContrast contains information for comparing the native protein sequence to designed protein sequence. And output the compare resultes to a special formated file which can be used for statistics calculations |
| ►Nserialization | |
| CBUFFER | |
| ►Nsilent | |
| CProteinSilentStruct_SinglePrecCreator | Creator for the ProteinSilentStruct_SinglePrec class |
| CProteinSilentStructCreator | Creator for the ProteinSilentStruct class |
| CRNA_SilentStructCreator | Creator for the RNA_SilentStruct class |
| CBinarySilentStructCreator | Creator for the BinarySilentStruct class |
| CScoreFileSilentStructCreator | Creator for the ScoreFileSilentStruct class |
| CScoreJumpFileSilentStructCreator | Creator for the ScoreJumpFileSilentStruct class |
| CRigidBodySilentStructCreator | Creator for the RigidBodySilentStruct class |
| CBinarySilentStruct | Why this inheritance pathway? this makes no sense! |
| CEnergyNames | |
| CProteinSilentStruct_Template | |
| CRigidBodySilentStruct | |
| CRNA_SilentStruct | |
| CScoreFileSilentStruct | |
| CScoreJumpFileSilentStruct | |
| CSharedSilentData | |
| CSimpleSequenceData | |
| CSilentEnergy | Helper class for silent-file classes to keep track of energy information |
| ►CSilentFileData | Abstract base class for classes that read and write different types of silent-files. Silent-files can contain SilentStruct objects which are expected, to be uniquely identified by some sort of string-based tag inside the file |
| Cconst_iterator | Const_iterator class for SilentFileData container |
| Citerator | Iterator class for SilentFileData container |
| CSilentFileOptions | |
| CSilentStruct | |
| CSilentStructCreator | Abstract base class for a Mover factory; the Creator class is responsible for creating a particular mover class |
| CSilentStructFactory | |
| CSilentStructRegistrator | This templated class will register an instance of an SilentStructCreator (class T) with the SilentStructFactory. It will ensure that no SilentStructCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CAtomInformation | |
| CCrystInfo | |
| CHeaderInformation | Information stored in the Title Section records http://www.wwpdb.org/documentation/format32/sect2.html HEADER PEPTIDASE 13-JAN-98 1A2Z |
| CNomenclatureManager | |
| CRemarkInfo | |
| CRemarks | |
| CResidueInformation | |
| CStructFileReaderOptions | |
| CModifiedResidueInformation | |
| CLinkInformation | |
| CSSBondInformation | |
| CCisPeptideInformation | |
| CHELIXInformation | |
| CSHEETInformation | |
| CStructFileRep | |
| CStructFileRepOptions | |
| ►Nkinematics | |
| ►Ninverse | |
| CAlignmentAtom | This class has the duty of logging atoms and their desired positions |
| CAlignmentAtomArray | This class contains the 3 AlignmentAtoms that we want to use to define the new jump value |
| CInternalCoordAtoms | |
| CInternalCoordGeometry | |
| ►Njacobian | |
| CJacobianStructure | Upper-level wrapper of the Jacobian analysis of a protein's kinematics relations |
| ►CModuleType1 | Covers the Jacobian analysis at the lower-level for type-1 systems, which have internal DoFs that can be organized as three sets of two torsion angles with intersecting axes |
| Cjacobian_struct | Struct to pass around all variations of Jacobian matrices @detail fw_dofs is the Jacobian matrix that maps differential torsion angles [rad/s] or [delta rad] on Cartesian reference frame fw_cons is the 6x6 Jacobian matrix that maps virtual (helper, constrained) torsion angles [rad/s] or [delta rad] on Cartesian reference frame fw_all is the 6x6 Jacobian matrix that maps all six torsion angles (real and virtual) [rad/s] or [delta rad] on Cartesian reference frame inv_dofs is the 6x6 Jacobian matrix that maps twist from Cartesian ref. frame onto torsion angles inv_cons is the 6x6 Jacobian matrix that maps twist from Cartesian ref. frame onto virtual torsion angles that represent the modules constraints inv_all is the 6x6 Jacobian matrix that maps twist from Cartesian ref. frame onto all torsion angles (real and virtual) |
| Cscrew_construct_struct | Struct with the different linear algebra objects that are needed to express the twists and wrenches to calculate the instantaneous Jacobian matrices of the module |
| CSeriesJacobians | Mid-level of the Jacobian analysis of a protein's kinematics relations |
| ►Ntree | |
| CAtom | Kinematics Atom interface class |
| CAtom_ | Kinematics Atom abstract base class |
| CBondedAtom | Atom which are bonded to its parent, derived from Atom_ |
| CJumpAtom | Atom who are connected to its parent via rigid-body transformation "Jump" |
| CAtomTree | Wrapper for a tree of kinematic Atoms |
| CAtomWithDOFChange | Simple class for use in output-sensitive refold subroutine |
| CEdge | Single edge of the fold_tree |
| CEXCN_InvalidFoldTree | |
| CFoldTree | The FoldTree is a residue-based tree-like representation of a molecule |
| CJump | Object which makes rigid-body transformation with translational and rotational perturbation |
| CMinimizerMapBase | |
| CMoveMap | A class specifying DOFs to be flexible or fixed |
| CResidueCoordinateChangeList | The AtomTree is responsible for informing the conformation of which residues have had either internal (DOF) or external (xyz) coordinate changes so that the Conformation may shuttle O(k) – output sensitive – data from the AtomTree to the Residue objects it manages |
| CRT | Rotation + translation class |
| CShortestPathInFoldTree | |
| CStub | Stub class – an object of orthogonal coordinate frame |
| CNode | |
| CTreeVizBuilder | |
| ►Noptimization | |
| ►Nsymmetry | |
| CMinDebug | |
| CSymAtomTreeMinimizer | High-level atom tree minimizer class |
| CSymAtomTreeMultifunc | Atom tree multifunction class |
| CSymMinimizerMap | Atom tree multifunction class |
| CAtomTreeMinimizer | High-level atom tree minimizer class |
| CAtomTreeMultifunc | Atom tree multifunction class |
| CCartesianMinimizer | High-level atom tree minimizer class |
| CCartesianMinimizerMap | |
| CCartesianMultifunc | Atom tree multifunction class |
| CCMAES_Minimizer | |
| CDOF_Node | |
| CEItem | Inner class for Genetic Algorithm, hold one population with some additional info |
| CGA_Minimizer | |
| Cfunc_1d | |
| CLineMinimizationAlgorithm | |
| CBrentLineMinimization | |
| CArmijoLineMinimization | |
| CStrongWolfeLineMinimization | |
| CConvergenceTest | |
| CDFPMinConvergedFractional | |
| CDFPMinConvergedAbsolute | |
| CDescentDirectionAlgorithm | |
| CJJH_Minimizer | |
| Clbfgs_iteration_data | |
| CMinimizer | Simple low-level minimizer class |
| CMinimizerMap | |
| CMinimizerOptions | |
| CMultifunc | Multifunction interface class |
| Csort_pred | |
| CNelderMeadSimplex | |
| CDerivCheckDataPoint | |
| CSimpleDerivCheckResult | |
| CDOF_DataPoint | |
| CNumDerivCheckData | |
| CNumericalDerivCheckResult | |
| CParticle | Simple data container for PSO algorithm |
| CParticleSwarmMinimizer | Particle Swarm Optimization engine |
| CSingleResidueMultifunc | A streamlined AtomTreeMultifunc designed specifically for RTMIN |
| ►Npack | |
| ►Nannealer | |
| CAnnealerFactory | |
| CAnnealerObserver | |
| CRotSub | |
| CDebuggingAnnealer | |
| CFASTERAnnealer | |
| CFixbbCoupledRotamerSimAnnealer | |
| CFixbbLinkingRotamerSimAnnealer | |
| CPointDwell | |
| CFixbbPwatSimAnnealer | |
| CFixbbSimAnnealer | |
| CMultiCoolAnnealer | |
| CRotamerAssigningAnnealer | |
| CSeqSymmAnnealerSetup | |
| CSequenceSymmetricAnnealer | |
| CSimAnnealerBase | |
| CKey | |
| CKeyHasher | |
| CValue | |
| CSmartFixbbSimAnnealer | |
| ►Ndunbrack | |
| ►Ncenrot | |
| CCenRotDunEnergy | |
| CCenRotDunEnergyCreator | |
| CCenrotLibrary | Stores and handles loading of centroid rotamers for the canonical amino acids |
| CCentroidRotamerSampleData | Simple class storing all the data for one centroid-rotamer well |
| CSingleResidueCenrotLibrary | |
| CSingleResidueCenrotLibraryCreator | |
| CChiSet | |
| CDunbrackConstraint | |
| CDunbrackConstraintCreator | Mover creator for the DunbrackConstraint constraint |
| CDunbrackEnergy | |
| CDunbrackEnergyCreator | |
| CDunbrackRotamerMeanSD | Forward declaration; default precision is DunbrackReal |
| CPackedDunbrackRotamer | Forward declaration; default precision is DunbrackReal; |
| CDunbrackRotamer | Forward declaration; default precision is DunbrackReal |
| CRotamericData | DOUG DOUG DOUG |
| CDunbrackRotamerSampleData | |
| CRotamerBuildingData | Simple class for passing data around in virtual function calls of the rotamer creating process. Derived classes will be simple containers for interpolated rotameric data that 1) has to be available to the derived class when building rotamers and 2) cannot be stored as member data in the derived class in a thread-safe manner. Derived classes of the RotamerBuildingData can be declared on the stack, passed into the RotamericSingleResidueDunbrackLibrary::build_chi_sets function, and then in the (virtual) chisamples_for_rotamer function, the derived classes may be downcast |
| CPeptoidOmegaReporter | |
| CPeptoidGeneralDOFReporter | |
| CResidueDOFReporter | |
| CRotamerConstraint | This class favors a particular rotamer at a particular position by reducing its Dunbrack energy |
| CRotamericSingleResidueDunbrackLibrary | |
| CRotamericSingleResidueDunbrackLibraryParser | A helper class to assist in parsing rotamer libraries |
| CDunbrackAAParameterSet | A small structure to hold overview parameters about the Dunbrack Libraries |
| CRotamerLibrary | A class to manage the Dunbrack Rotamer Libraries |
| CRotamerLibraryInterpolationScratch | A scratch-space class to store the information needed for Dunbrack Rotamer interpolation |
| CRotamerLibraryScratchSpace | |
| CSemiRotamericSingleResidueDunbrackLibrary | This class is meant to represent the non-rotameric chi observed in several amino acids (asn, asp, gln, glu, his, phe, trp, tyr ) which are rotameric for the chi closest to the backbone and non rotameric for exactly one chi angle. This non-rotameric chi (abv. nrchi) is the last chi for each of these 8 amino acids except tyrosine, where this chi is the last heavy-atom chi. The last chi on tyrosine governs a hydroxyl. Unlike in the fully rotameric residues, the last heavyatom chi in semi-rotameric residues do not "communicate" to the rotameric chi. That is, in the rotameric chi, the mean chi1 value is sensitive to the chi3 value. If the third diherdal switches from trans to g+, then chi1 would shift in response. Changes to the non-rotameric chi do not effect the rotameric chi. The data structure here is good for this model but no other |
| CBBDepNRChiSample | P for precision |
| CBBIndNRChiSample | |
| CBBDepSemiRotamericData | A class to hold rotamer building data on the stack and yet have it accessible to derived classes when invoking base class functions. An alternative would have been to store mutable member data in the Library class itself. This option, however, is not thread safe. This data is used by the SemiRotamericSRDL class for when building backbone dependent rotamers |
| CBBDepScoreInterpData | |
| CBBIndSemiRotamericData | A class to hold rotamer building data on the stack and yet have it accessible to derived classes when invoking base class functions. An alternative would have been to store mutable member data in the Library class itself. This option, however, is not thread safe. This data is used by the SemiRotamericSRDL class for when building backbone independent rotamers |
| CProbSortClass | |
| CSingleResidueDunbrackLibraryConcrete | |
| CSingleResidueDunbrackLibrary | |
| CSingleResidueDunbrackLibraryCreator | |
| CMainchainTorsionReporter | |
| CPeptideTorsionReporter | |
| ►Nguidance_scoreterms | |
| ►Napproximate_buried_unsat_penalty | |
| CApproximateBuriedUnsatPenalty | |
| CApproximateBuriedUnsatPenaltyCreator | |
| CUnsatCorrectionOptions | |
| CHBondBonusOptions | |
| CReweightData | |
| ►Nburied_unsat_penalty | |
| ►Ngraph | |
| CBuriedUnsatPenaltyGraphHbond | A hydrogen bond between two atoms in two residues. Since this is tied to a BuriedUnsatPenaltyEdge (which in turn is associated with two residues), it stores only donor group index and acceptor group index. The group indices match the indexing in the corresponding node |
| CBuriedUnsatPenaltyGraphHbondDonorAcceptorGroup | A class for a hydrogen bond donor group or acceptor group |
| CBuriedUnsatPenaltyNodeData | Data stored inside a BuriedUnsatPenaltyNode |
| CBuriedUnsatPenaltyNode | Each BuriedUnsatPenaltyNode represents a rotamer from the RotamerSets object, or a residue (if we're doing a simple scoring pass) |
| CBuriedUnsatPenaltyEdgeData | |
| CBuriedUnsatPenaltyEdge | Each BuriedUnsatPenaltyEdge represents a hydrogen bonding interaction between two residues, and stores information about (a) the number of hydrogen bonds, and (b) the atoms involved |
| CBuriedUnsatPenaltyGraph | The BuriedUnsatPenaltyGraph consists of nodes representing resiudues (or rotamers in packing mode) and edges representing hydrogen-bonding interactions. Each node stores a list of hydrogen bond donor and acceptor atoms that we're seeking to satisfy; each edge stores the donors and acceptors that are connected by hydrogen bonds when two residues (or rotamers) interact |
| CBuriedUnsatPenaltyGraphContainer | A container for the BuriedUnsatPenaltyGraph, to allow it to be cached in a pose while skirting multiple inheritance issues |
| CBuriedUnsatPenaltyGraphOptions | Options container for the BuriedUnsatPenaltyGraph. Initialized by the BuriedUnsatPenalty energy method |
| CBuriedUnsatPenalty | BuriedUnsatPenalty, an EnergyMethod that gives a penalty for buried unsatisfied hydrogen bond donors or acceptors |
| CBuriedUnsatPenaltyCreator | |
| ►Nhbnet_energy | |
| CHBNetEnergy | HBNetEnergy, an EnergyMethod that gives a bonus for hydrogen bond networks, which ramps nonlinearly with the size of the networks. This class is derived from base class WholeStructureEnergy, which is meaningful only on entire structures. These EnergyMethods do all of their work in the "finalize_total_energy" section of scorefunction evaluation |
| CHBNetEnergyCreator | |
| ►Nlk_dome | |
| CMyWaterHolder | |
| CLK_DomeHelper | |
| CLK_DomePackEnergy | |
| CLK_DomePackEnergyCreator | |
| ►Nsap | |
| CPerResidueSapScoreMetric | A per-residue metric that will calculate SASA for each residue given in a selector |
| CPerResidueSapScoreMetricCreator | |
| CSapConstraint | |
| CSapConstraintEnergy | |
| CSapConstraintEnergyCreator | |
| CMyTemplatePointerHash1 | |
| CRotamerRotamerHasher | |
| CSapConstraintHelper | |
| CSapConstraintOptions | |
| CBlockParam | |
| CSapDatabase | |
| CSapMathConstraint | |
| CSapParameterOptions | |
| CSapScoreMetric | A metric to report the SapScore of a pose |
| CSapScoreMetricCreator | |
| ►Nvoids_penalty_energy | |
| CVoidsPenaltyEnergy | VoidsPenaltyEnergy ("voids_penalty" score term), an EnergyMethod intended for packing, which penalizes solutions in which the total volume to fill differs greatly from the total volume of the current set of rotamers |
| CVoidsPenaltyEnergyCreator | |
| CVoidsPenaltyVoxelGrid | A 3D boolean array used for identifying core voxels in the VoidsPenaltyEnergy |
| ►Nhbonds | |
| CBareMinimumPDEdge | |
| CHBondGraphInitializerIG | |
| ►Ninteraction_graph | |
| CFirstClassNode | |
| CFirstClassEdge | |
| CBackgroundNode | A node which is not changing type or rotamer throughout a simulation |
| CBackgroundToFirstClassEdge | An edge between a background node and a first class node |
| CAdditionalBackgroundNodesInteractionGraph | Function declarations for the AdditionalBackgroundNodesInteractionGraph |
| CAminoAcidNeighborSparseMatrix | |
| CAnnealableGraphBase | |
| CDensePDNode | |
| CDensePDEdge | |
| CDensePDInteractionGraph | |
| CDoubleDensePDNode | |
| CDoubleDensePDEdge | |
| CDoubleDensePDInteractionGraph | |
| CDoubleLazyNode | |
| CDoubleLazyEdge | |
| CDoubleLazyInteractionGraph | The double lazy interaction graph is primarily useful for multistate design where one is interested in knowing at particular edge, all of the rotamer pair energies for a particular amino acid assignment. The double lazy interaction graph is lazy in two ways: first, in delaying the computation of rotamer pair energies until they are needed, and second, in delaying the allocation of memory for rotamer pair energies until that memory is needed. The DLIG will do one of two things once it allocates space for a block of rotamer pairs: 1) In its standard operating behavior, it will leave that space allocated until the graph is destroyed, which means that the energies it stores in that block will never be computed more than once; or 2) In its alternate operating behavior, the LMIG will deallocate some of those blocks to make sure that it never uses more than some maximum amount of memory on RPEs |
| CFASTERNode | |
| CFASTEREdge | |
| CFASTERInteractionGraph | |
| CFixedBBNode | |
| CFixedBBEdge | |
| CFixedBBInteractionGraph | |
| CHPatchEnergy | Defines a (pseudo) context-dependent one-body surface energy. Really, this class is only being used as a hack for the optE protocol so that the non-PD surface energy can be optimized together with the other PD-terms. The difference from this energy method from the plain SurfaceEnergy method is that it calculates the patch area using methods in sasa.cc instead of using average values. This new method also uses a new approach for finding which residues to include in a patch, not just all residues within 10A |
| CHPatchEnergyCreator | |
| CHPatchInteractionGraph | Defines the interaction graph that will keep track of changes to the hpatch score |
| Cexposed_hydrophobic_data | |
| CHPatchNode | Defines a FirstClass node which will keep track of changes in the SASA and hpatch score. FirstClassNode is defined and implemented in AdditionalBackgroundNodesInteractionGraph |
| CHPatchBackgroundNode | Defines a Background Node which will contribute to changes in SASA/hpatchE due to state changes on neighboring nodes, and not because of state changes to it. No default constructor makes this class uncopyable |
| CHPatchEdge | Defines a HPatch Edge which connects two first-class HPatch Nodes. Edges have to keep some state so that updates to SASA and the hpatch score can be done fast |
| CHPatchBackgroundEdge | Defines an edge between a FirstClass (HPatchNode) and a background node (HPatchBackgroundNode) |
| CNodeBase | |
| CEdgeBase | |
| CInteractionGraphBase | |
| CInteractionGraphFactory | |
| CLazyNode | |
| CLazyEdge | |
| CLazyInteractionGraph | |
| Chistory_queue_struct | For storing three peices of associated data describing the recent history structure on a LinearMemNode |
| CLinearMemNode | |
| CLinearMemEdge | |
| CLinearMemoryInteractionGraph | |
| CMultiplexedAnnealableGraph | |
| CNPDHBondInteractionGraph | Defines the interaction graph that will keep track of changes to the hpatch score |
| CNPDHBondNode | Defines a FirstClass node which will keep track of the hydrogen bonds coming in to the residue and the hydrogen bond score. FirstClassNode is defined and implemented in AdditionalBackgroundNodesInteractionGraph |
| CNPDHBondBackgroundNode | Defines a Background Node which will contribute to changes in SASA/hpatchE due to state changes on neighboring nodes, and not because of state changes to it. No default constructor makes this class uncopyable |
| CNPDHBondEdge | Defines a NPDHBond Edge which connects two first-class NPDHBond Nodes. Edges have to keep some state so that updates to SASA and the hpatch score can be done fast |
| CNPDHBondBackgroundEdge | Defines an edge between a FirstClass (NPDHBondNode) and a background node (NPDHBondBackgroundNode) |
| CNPDHBond | |
| CNPDHBSimpleNode | |
| CNPDHBSimpleEdge | |
| CNPDHBSimpleInteractionGraph | A simple graph class for calculating pairwise decomposable energies as sidechains are moving on a fixed backbone. This class is responsible for calculating energy changes, but is passive about how the sidechains are changing. There are two main ways to drive the graph: one where the graph ACTIVELY takes charge of updating pointers to the sidechains, where, each external change of one pointer triggers an update to the energies; and a second, where the graph is PASSIVE wrt the pointers, and they must be maintained by an external driver |
| COnTheFlyNode | |
| COnTheFlyEdge | |
| COnTheFlyInteractionGraph | |
| CPDNode | |
| CPDEdge | |
| CPDInteractionGraph | |
| CPrecomputedPairEnergiesNode | |
| CPrecomputedPairEnergiesEdge | |
| CPrecomputedPairEnergiesInteractionGraph | |
| CResidueArrayAnnealingEvaluator | |
| CDotSphere | Represents the sphere of dots on the vdW surface of an atom, for use in the LeGrand and Merz method of calculating SASA |
| CRotamerDots | Handles sphere-sphere overlap calculations for the HPatchInteractionGraph |
| CRotamerDotsRadiusData | A singleton class which reads in database SASA radii files and provides accessors for those values to the RotamerDots class |
| CRotamerDotsCache | A lightweight version of the RotamerDots class. Used to cache overlap between interaction graph Nodes and BGNodes |
| CInvRotamerDots | Used to determine whether the overlap between two atoms is buried or exposed |
| CSimpleNode | |
| CSimpleEdge | |
| CSimpleInteractionGraph | A simple graph class for calculating pairwise decomposable energies as sidechains are moving on a fixed backbone. This class is responsible for calculating energy changes, but is passive about how the sidechains are changing. There are two main ways to drive the graph: one where the graph ACTIVELY takes charge of updating pointers to the sidechains, where, each external change of one pointer triggers an update to the energies; and a second, where the graph is PASSIVE wrt the pointers, and they must be maintained by an external driver |
| CSparseMatrixIndex | |
| CSurfaceEnergy | Defines a (pseudo) context-dependent one-body surface energy. Really, this class is only being used as a hack for the optE protocol so that the non-PD surface energy can be optimized together with the other PD-terms |
| CSurfaceEnergyCreator | |
| CSurfaceInteractionGraph | Defines the interaction graph that will keep track of changes to the surface score |
| CSurfaceNode | Defines a FirstClass node which will keep track of changes in the surface energy. FirstClassNode is defined and implemented in AdditionalBackgroundNodesInteractionGraph |
| CSurfaceBackgroundNode | Defines a BackgroundResidue node which will contribute to changes in surface energy due to state changes on neighboring nodes, and not because of state changes to it |
| CSurfaceEdge | Defines a Surface edge which will be used in determining surface energy |
| CSurfaceBackgroundEdge | Defines an edge between a FirstClass (SurfaceNode) and a background node (SurfaceBackgroundNode) |
| CSurfacePotential | With the traditional scoring hierarchy, classes like this one are created and accessed via the ScoringManager, which is itself a Singleton class. These "potential" classes are only created and initialized when the use of the EnergyMethod these classes correspond is encountered. No point in reading database files for a term if that term is not being used in some score function. However, the surface energy is used when users specify they want to use it on the command line - NOT via a score function. The score/energy is done within an interaction graph. One might ask why I just don't put the logic for reading in the database file to the interaction graph init methods. However, there will be cases where I will want to just score a protein (and not do any design) where I will want the database file to be read in. Scoring doesn't use interaction graphs, so if the code for that was located there, these values would not be read in. Instead, I've decided to implement this as its own separate class. It uses the Singleton design pattern so the database will only get read in once during a run |
| CSymmLinearMemNode | |
| CSymmLinearMemEdge | |
| CSymmLinearMemoryInteractionGraph | |
| CSymmMinimalistNode | |
| CSymmMinimalistEdge | |
| CSymmMinimalistInteractionGraph | |
| CSymmOnTheFlyNode | |
| CSymmOnTheFlyEdge | |
| CSymmOnTheFlyInteractionGraph | |
| ►Npalette | |
| CCustomBaseTypePackerPalette | CustomBaseTypePackerPalette: a PackerPalette that allows a user to define additional ResidueTypes with which to design (but not additional VariantTypes, at this time) |
| CCustomBaseTypePackerPaletteCreator | The PackerPaletteCreator class's responsibilities are to create on demand a new instance of a PackerPalette class |
| CDefaultPackerPalette | Gives instructions to the packer about the set of ResidueTypes and VariantTypes to use by default, in the absence of any TaskOperations that prune the list. Specifically, the DefaultPackerPalette says, "By default, use the twenty canonical amino acids and whatever is present at a given position -- and nothing else." |
| CDefaultPackerPaletteCreator | The PackerPaletteCreator class's responsibilities are to create on demand a new instance of a PackerPalette class |
| CNCAADefaultPackerPalette | Gives instructions to the packer about the set of ResidueTypes and VariantTypes to use by default, in the absence of any TaskOperations that prune the list. Specifically, the NCAADefaultPackerPalette says, "By default, use the twenty canonical amino acids and whatever is present at a given position -- and nothing else." |
| CNCAADefaultPackerPaletteCreator | The PackerPaletteCreator class's responsibilities are to create on demand a new instance of a PackerPalette class |
| CNoDesignPackerPalette | Gives instructions to the packer about the set of ResidueTypes and VariantTypes to use by default, in the absence of any TaskOperations that prune the list. Specifically, the NoDesignPackerPalette says, "By default, use the twenty canonical amino acids and whatever is present at a given position -- and nothing else." |
| CNoDesignPackerPaletteCreator | The PackerPaletteCreator class's responsibilities are to create on demand a new instance of a PackerPalette class |
| CBaseTypeList | A small utility class which allows you to do a map-like addition of name/ResidueType pairs, but keeps things in the added order |
| CPackerPalette | Gives instructions to the packer about the set of ResidueTypes and VariantTypes to use by default, in the absence of any TaskOperations that prune the list |
| CPackerPaletteCreator | The PackerPaletteCreator class's responsibilities are to create on demand a new instance of a PackerPalette class |
| CPackerPaletteFactory | |
| CPackerPaletteRegistrator | This templated class will register an instance of an PackerPalettteCreator (class T) with the PackerPaletteFactory. It will ensure that no PackerPaletteCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| ►Nrotamer_set | |
| ►Nsymmetry | |
| CSymmetricRotamerSet_ | Container for a set of rotamers for use in packing. Rotamers are sorted into groups of the same residue type. Offsets into these rotamer groups are maintained by this class, as is information concerning the "original rotamer" – the rotamer present on the input pose before packing began. symmetrical version of RotamerSet_ |
| CSymmetricRotamerSets | |
| CAddResiduesRotamerSetOperation | Adds in rotamers from a list of Residues, |
| CBumpSelector | |
| CContinuousRotamerSet | |
| CContinuousRotamerSets | |
| CDeleteAllRotamerSetOperation | Adds in rotamers from a list of Residues, |
| CFixbbRotamerSets | |
| CPyRotamerEliminator | |
| CPyRotamerEliminatorTaskOperation | |
| CRotamerCouplings | |
| CRotamerLinks | |
| CRotamerSet | |
| CRotamerSet_ | Container for a set of rotamers for use in packing. Rotamers are sorted into groups of the same residue type. Offsets into these rotamer groups are maintained by this class, as is information concerning the "original rotamer" – the rotamer present on the input pose before packing began |
| CRotamerSetFactory | |
| CRotamerOperation | RotamerSetOperations are able to modify the contents of a RotamerSet within the packer immediately after rotamer creation |
| CRotamerSetOperation | |
| CRotamerSetsOperation | RotamerSetsOperations are able to modify the RotamerSets object such that changes can be correlated accros multiple rotamer sets |
| CRotamerSets | |
| CRotamerSetsFactory | |
| CRotamerSubset | Container for a subset of rotamers that have been created by another rotamer set. This subset object copies pointers to the rotamers contained in another set, as opposed to cloning the rotamers. It's main purpose is to manage the bookkeeping involved in packing with a subset of rotamers (when it might be faster to use a subset and to create an interaction graph specifically for that subset than to simply pass an abreviated list of rotamers to the SimAnnealer with the "rot_to_pack" vector) |
| CRotamerSubsets | |
| CUnboundRotamersOperation | Adds in rotamers from the "unbound" or native structure(s), pulled from one or more PDBs supplied on the command line |
| CWaterAnchorInfo | |
| CWaterPackingInfo | |
| ►Nrotamers | |
| CSingleBasicRotamerLibrary | A simple Rotamer library, which serves as a default for ResidueTypes which don't have some other more specific rotamer library |
| CSingleBasicRotamerLibraryCreator | |
| CSingleLigandRotamerLibrary | A fixed library of conformations for some residue type (doesn't have to be a ligand) |
| CSingleLigandRotamerLibraryCreator | |
| CSingleNCAARotamerLibraryCreator | |
| CTorsionEnergy | |
| CSingleResidueRotamerLibrary | SingleResidueRotamerLibrary pure virtual base class |
| CSingleResidueRotamerLibraryCreator | |
| CSingleResidueRotamerLibraryFactory | |
| CSingleResidueRotamerLibraryRegistrator | This templated class will register an instance of an SingleResidueRotamerLibraryCreator (class T) with the SingleResidueRotamerLibraryFactory. It will ensure that no SingleResidueRotamerLibrary creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CStoredRotamerLibraryCreator | |
| ►Nscmin | |
| CResidueAtomTreeCollectionMomento | Class to save the state for a ResidueAtomTreeCollection |
| CResidueAtomTreeCollection | The conformation::Residues and kinematics::AtomTrees for a single collection of rotamers (e.g. a RotamerSet). Each chemical::ResidueType gets its own residue/atomtree pair. A particular AtomTree/Residue pair can be set as "active" and manipulated by setter and getters for either the coordinates of the Residues or the chi dihedrals of the AtomTree |
| CAtomTreeCollection | A collection of ResidueAtomTreeCollection objects for an entire design task |
| CAtomTreeSCMinMinimizerMap | |
| CCartSCMinMinimizerMap | |
| CCartSCMinMultifunc | |
| CSCMinMinimizerMap | |
| CSCMinMultifunc | |
| CSidechainStateAssignment | A simple class for tracking a network state and its energy where each sidechain's state is described by a series of chi angles |
| ►Ntask | |
| ►Noperation | |
| CClashBasedRepackShell | Create a shell of residues that can repack around a smaller group of residues being repacked or designed |
| CClashBasedRepackShellCreator | |
| CDesignRestrictions | Combine a set of ResidueSelectors and ResidueLevelTaskOperations concisely, using boolean logic to join selectors concisely |
| CDesignRestrictionsCreator | |
| CEnableMultiCoolAnnealer | Task Operation for turning on the multi-cool annealer |
| CEnableMultiCoolAnnealerCreator | |
| CEnableSmartAnnealer | Task Operation for turning on the multi-cool annealer |
| CEnableSmartAnnealerCreator | |
| CFillAUTOTaskOperation | Fills the AUTO behavior for all residues in Task. Useful if a protocol expects AUTO-style resfile, but no resfile present |
| CFillAUTOTaskOperationCreator | |
| CKeepSequenceSymmetry | Task Operation for turning on the multi-cool annealer |
| CKeepSequenceSymmetryCreator | |
| CNoRepackDisulfides | Prevent disulfides from being repacked; assume disulfides info in Pose is up-to-date |
| CNoRepackDisulfidesCreator | |
| COperateOnCertainResidues | |
| COperateOnCertainResiduesCreator | |
| COperateOnResidueSubset | Class, much like the OperateOnCertainResidues task operation, to apply a particular residue-level task operation on the residues identified by a ResidueSelector (Or a pre-selected subset) |
| COperateOnResidueSubsetCreator | |
| COptCysHG | Run optH on non-disulfided bonded CYS only; meant to relieve any clashes caused by swapping of CYD->CYS after calling Conformation::detect_disulfides() |
| COptCysHGCreator | |
| COptH | Run optH; disallowed positions may be set to prevent optimization for those residues |
| COptHCreator | |
| CReplicateTask | |
| CResFilter | |
| CResFilterCreator | The ResFilterCreator class's responsibilities are to create on demand a new ResFilter class. The ResFilterCreator must register itself with the ResFilterFactory at load time (before main() begins) so that the ResFilterFactory is ready to start creating ResFilters by the time any protocol requests one |
| CAnyResFilterCreator | |
| CAllResFilterCreator | |
| CNoResFilterCreator | |
| CResidueTypeFilterCreator | |
| CResidueHasPropertyCreator | |
| CResidueLacksPropertyCreator | |
| CResiduePDBInfoHasLabelCreator | |
| CResiduePDBInfoLacksLabelCreator | |
| CResidueName3IsCreator | |
| CResidueName3IsntCreator | |
| CResidueIndexIsCreator | |
| CResidueIndexIsntCreator | |
| CResiduePDBIndexIsCreator | |
| CResiduePDBIndexIsntCreator | |
| CChainIsCreator | |
| CChainIsntCreator | |
| CResFilterFactory | |
| CResFilterRegistrator | This templated class will register an instance of an ResFilterCreator (class T) with the ResFilterFactory. It will ensure that no ResFilter creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CResFilterComposition | |
| CAnyResFilter | |
| CAllResFilter | |
| CNoResFilter | |
| CResidueTypeFilter | |
| CResidueHasProperty | |
| CResidueLacksProperty | |
| CResiduePDBInfoHasLabel | |
| CResiduePDBInfoLacksLabel | |
| CResidueName3Is | |
| CResidueName3Isnt | |
| CResidueIndexIs | |
| CResidueIndexIsnt | |
| ►CResiduePDBIndexIs | |
| CChainPos | |
| CResiduePDBIndexIsnt | |
| CChainIs | |
| CChainIsnt | |
| CResLvlTaskOperation | |
| CResLvlTaskOperationCreator | The ResLvlTaskOperationCreator class's responsibilities are to create on demand a new ResLvlTaskOperation class. The ResLvlTaskOperationCreator must register itself with the ResLvlTaskOperationFactory at load time (before main() begins) so that the ResLvlTaskOperationFactory is ready to start creating ResLvlTaskOperations by the time any protocol requests one |
| CRestrictToRepackingRLTCreator | |
| CRestrictAbsentCanonicalAASRLTCreator | |
| CRestrictAbsentCanonicalAASExceptNativeRLTCreator | |
| CDisallowIfNonnativeRLTCreator | |
| CPreventRepackingRLTCreator | |
| CAddBehaviorRLTCreator | |
| CIncludeCurrentRLTCreator | |
| CPreserveCBetaRLTCreator | |
| CExtraChiCutoffRLTCreator | |
| CExtraRotamersGenericRLTCreator | |
| CResLvlTaskOperationFactory | |
| CResLvlTaskOperationRegistrator | This templated class will register an instance of an ResLvlTaskOperationCreator (class T) with the ResLvlTaskOperationFactory. It will ensure that no ResLvlTaskOperation creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CRestrictToRepackingRLT | |
| CRestrictAbsentCanonicalAASRLT | |
| CRestrictAbsentCanonicalAASExceptNativeRLT | |
| CDisallowIfNonnativeRLT | |
| CPreventRepackingRLT | |
| CAddBehaviorRLT | |
| CIncludeCurrentRLT | |
| CPreserveCBetaRLT | |
| CExtraChiCutoffRLT | |
| CExtraRotamersGenericRLT | |
| CRestrictInteractionGraphThreadsOperation | A task operation that restricts the number of threads allowed for interaction graph computation |
| CRestrictInteractionGraphThreadsOperationCreator | |
| CTaskOperation | |
| CTaskOperationCreator | The TaskOperationCreator class's responsibilities are to create on demand a new TaskOperation class. The TaskOperationCreator must register itself with the TaskOperationFactory at load time (before main() begins) so that the TaskOperationFactory is ready to start creating TaskOperations by the time any protocol requests one |
| CRestrictYSDesignCreator | |
| CPreventRepackingCreator | |
| CPreserveCBetaCreator | |
| CAppendRotamerSetCreator | |
| CAppendResidueRotamerSetCreator | |
| CAppendRotamerCreator | |
| CSetRotamerCouplingsCreator | |
| CSetRotamerLinksCreator | |
| CReadResfileCreator | |
| CReadResfileAndObeyLengthEventsCreator | |
| CIncludeCurrentCreator | |
| CInitializeExtraRotsFromCommandlineCreator | |
| CInitializeFromCommandlineCreator | |
| CUseMultiCoolAnnealerCreator | |
| CInitializeFromOptionCollectionCreator | |
| CExtraRotamersGenericCreator | |
| CRotamerExplosionCreator | |
| CRestrictAbsentCanonicalAASCreator | |
| CRestrictToSpecifiedBaseResidueTypesCreator | |
| CProhibitSpecifiedBaseResidueTypesCreator | |
| CRestrictToResiduePropertiesCreator | |
| CProhibitResiduePropertiesCreator | |
| CRestrictResidueToRepackingCreator | |
| CRestrictToRepackingCreator | |
| CDisallowIfNonnativeCreator | |
| CExtraRotamersCreator | |
| CExtraChiCutoffCreator | |
| CTaskOperationFactory | |
| CTaskOperationRegistrator | This templated class will register an instance of an TaskOperationCreator (class T) with the TaskOperationFactory. It will ensure that no TaskOperation creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CRestrictToSpecifiedBaseResidueTypes | Restrict the palette of ResidueTypes to the base ResidueTypes provided by name |
| CProhibitSpecifiedBaseResidueTypes | Prohibit the base ResidueTypes provided by name from the palette of ResidueTypes |
| CRestrictToResidueProperties | Restrict the palette of ResidueTypes to those with the given properties |
| CProhibitResidueProperties | Restrict the palette of ResidueTypes to those with the given properties |
| CRestrictToRepacking | RestrictToRepacking |
| CRestrictResidueToRepacking | RestrictResidueToRepacking |
| CRestrictAbsentCanonicalAAS | RestrictAbsentCanonicalAAS |
| CDisallowIfNonnative | DisallowIfNonnative allows you to define what residues are NOT allowed in packing unless that residue is present in the input. Behaves like RestrictAbsentCanonicalAAS and NOTAA except will allow a resitricted residue at a position if it is there to begin with at the time of Task creation. Will do all residues unless otherwise defined by selection syntax below |
| CRotamerExplosion | Rotamer explosion for a residue |
| CInitializeFromCommandline | |
| CUseMultiCoolAnnealer | |
| CInitializeFromOptionCollection | Retrieves an OptionCollection from the DataMap |
| CInitializeExtraRotsFromCommandline | |
| CIncludeCurrent | |
| CExtraRotamerSamplingData | |
| CExtraRotamersGeneric | |
| CReadResfile | |
| CReadResfileAndObeyLengthEvents | Written by flo, feb 2011 class that can apply a resfile to a pose that had its length changed at some point in a protocol. A LengthEventCollector must be set in the pose's observer cache for this to work properly |
| CSetRotamerCouplings | |
| CSetRotamerLinks | |
| CAppendRotamer | When a PackerTask is created by the Factory, the RotamerOperation will be given to it |
| CAppendRotamerSet | When a PackerTask is created by the Factory, the RotamerSetOperation will be given to it |
| CAppendResidueRotamerSet | Apply rotamerSetOperation to only the rotamerSet for the given residue |
| CPreserveCBeta | |
| CPreventRepacking | PreventRepacking allows you to prevent repacking (NATRO behavior) through the Factory. Useful if you do not know the residue numbers when the resfile is created. Note that this is unlike RestrictToRepacking; you have to specify which residues. If PreventRepacking worked on the entire Task you'd have a do-nothing task |
| CRestrictYSDesign | RestrictYSDesign restricts positions to a binary Tyr/Ser alphabet |
| CExtraRotamers | ExtraRotamer for a residue. You know, -ex1, -ex2, all that |
| CExtraChiCutoff | ExtraChiCutoff (correponding to flag "-extrachi_cutoff <float>" ) |
| ►Nresidue_selector | |
| CClashBasedShellSelector | Define a shell based on potential sidechain clashes with a set of residues being repacked or designed |
| CClashBasedShellSelectorCreator | |
| ►Nrna | |
| CRNA_ResidueLevelTask | |
| CIGEdgeReweighter | Helper class for IGEdgeReweightContainer |
| CIGEdgeReweightContainer | Class that interfaces to containers holding IGedge weights between individual residues of the task |
| CPackerTask | Task class that gives instructions to the packer |
| CPackerTask_ | PackerTask controls what rotameric (including sequence) changes the packer is allowed to make |
| CResfileReaderException | |
| CResfileContents | |
| CResfileCommand | Abstract/interface class for Resfile reader command objects |
| CNATRO | NATRO disables packing and designing at a position, the residue will be totally unchanged |
| CNATAA | NATAA allows repacking but no sequence changes (all rotamers are of the original residue) |
| CALLAA | ALLAA is deprecated; allows repacking and designing to any canonical residue (default state of PackerTask) |
| CALLAAxc | ALLAAxc allows repacking and designing to any canonical noncysteine residue |
| CALLAAwc | Allows repacking and designing to any canonical residue (default state of PackerTask) |
| CPIKAA | PIKAA allows residues specifed in a following string |
| CPIKNA | PIKNA allows nucleic acid residues specifed in a following string |
| CNOTAA | NOTAA disallows residues specified in a following string, and allows packing |
| CPROPERTY | Allows designing on ANY residue type Property. (Only currently works with Cannonical AAs) JAB |
| CPOLAR | POLAR allows polar residues and packing |
| CAPOLAR | APOLAR allows nonpolar residues and packing |
| CAPOLA | APOLA is a deprecated version of APOLAR allows nonpolar residues and packing |
| CCHARGED | CHARGED allows charged residues and packing JAB |
| CAROMATIC | AROMATIC allows designing only aromatic residues. JAB |
| CEX | EX handles the various extrachi options |
| CEX_CUTOFF | EX_CUTOFF allows setting of the extrachi_cutoff (for determining burial for extra rotamers) |
| CUSE_INPUT_SC | USE_INPUT_SC turns on inclusion of the current rotamer for the packer |
| CAUTO | AUTO suggests that a packer can/should reconsider the design setting at a/each residue |
| CSCAN | SCAN suggests to some packing routines that if there are multiple type choices for this residue, then each of them should be considered explicitly in one way or another |
| CTARGET | TARGET flags the position as "targeted", and can optionally specify a "targeted" type |
| CNO_ADDUCTS | NO_ADDUCTS will disable adducts, assuming they exist |
| CFIX_HIS_TAUTOMER | FIX_HIS_TAUTOMER: when a histidine is present when the PackerTask is initialized, this flag will fix its tautomer (whether its hydrogen is on ND1 or NE2. Does nothing if not histidine at initialization (meaning if it mutates to histidine later this flag will have no effect) |
| CResidueLevelTask | |
| CResidueLevelTask_ | Residue-level task class |
| CTaskFactory | Factory class for the creation and initialization of PackerTask objects |
| CRTMin | |
| ►Npack_basic | |
| CRotamerSetsBase | |
| ►Npose | |
| ►Ncopydofs | |
| CCopyDofs | |
| CCopyDofsInfo | |
| ►Ndatacache | |
| CLengthEventCollector | Cacheable observer that keeps track of what length events occured |
| CSpecialSegmentsObserver | Observer that tracks the fate of a one or more segments (i.e. pose residues) of interest. note: the convention should be that a segment.second marks the end of the segment but is not part of it, i.e. the last position of a segment is segment.second - 1 reason: some peculiar stuff regarding the meaning of length events |
| CCacheableDataType | |
| CCacheableObserver | Base class for Pose/Conformation observers that are stored in a Pose's DataCache |
| CCacheablePoseRawPtr | Holds a smart pointer (no longer a raw pointer) to a Pose so that it can be tucked inside another Pose |
| CObserverCache | A DataCache storing Pose/Conformation observers derived from core::pose::datacache::CacheableObserver |
| CPositionConservedResiduesStore | |
| ►Nfull_model_info | |
| CFullModelInfo | Keep track of all information related to how a subpose 'fits in' to global modeling scheme |
| CFullModelParameters | |
| CSubMotifInfo | Keep track of information about a submotif added to a pose |
| ►Nmetrics | |
| ►Nsimple_calculators | |
| CInterfaceDefinitionCalculator | |
| CInterfaceDeltaEnergeticsCalculator | |
| CInterfaceNeighborDefinitionCalculator | |
| CInterfaceSasaDefinitionCalculator | |
| CSasaCalculator2 | |
| CSasaCalculatorLegacy | |
| CCalculatorFactory | |
| CPoseMetricCalculator | |
| CStructureDependentCalculator | |
| CEnergyDependentCalculator | |
| CPoseMetricContainer | Container for managing PoseMetricCalculators |
| ►Nreference_pose | |
| CReferencePose | ReferencePose class, used to store sets of ReferencePose data for tracking how a pose changes over the course of a protocol |
| CReferencePoseSet | ReferencePoseSet class, used to store sets of ReferencePose data for tracking how a pose changes over the course of a protocol |
| ►Nrna | |
| ►Nsecstruct_legacy | |
| CRNA_SecStructLegacyInfo | Keep track of RNA centroid information inside the pose. / Rhiju move this to its own namespace! |
| CBasePair | |
| CBasePairStep | |
| CBaseStack | |
| CRNA_Datum | |
| CRNA_Reactivity | |
| CRNA_DataInfo | Keep track of RNA chemical mapping data inside the pose |
| CRNA_FilteredBaseBaseInfo | Keep track of RNA centroid information inside the pose. / Rhiju move this to its own namespace! |
| CRNA_IdealCoord | |
| CRNA_RawBaseBaseInfo | Keep track of RNA centroid information inside the pose. / Rhiju move this to its own namespace! / Also, should probably use EnergyGraph instead of FArrays – much smaller memory footprint (!) / |
| CRNA_SecStruct | |
| Cprincipal_angle_degrees | |
| CRNA_SuiteAssignment | |
| CRNA_SuiteInfo | |
| CRNA_SuiteName | |
| CAtom_Bin | |
| CVDW_Grid | |
| CVDW_RepScreenInfo | |
| ►Nsignals | |
| CConformationEvent | Signals a conformation change in a Pose |
| CDestructionEvent | Special signal that the Pose is getting destroyed |
| CEnergyEvent | Signals an energy change in a Pose |
| CGeneralEvent | Signals a general change in a Pose |
| ►Ntoolbox | |
| CAtomID_Mapper | |
| CAtomLevelDomainMap | |
| CMiniPose | Lightweight version of the pose with stuff I need |
| CUnrecognizedAtomRecord | Info about an atom in a unrecognized res (not in pose, but we want to remember it) |
| ►CPDBInfo | Maintains pdb residue & atom information inside a Pose |
| CAtomRecord | Internal struct for storing PDB atom related information |
| CResidueRecord | Internal struct for storing PDB residue related information |
| ►CPDBPoseMap | PDBPoseMap can be queried with PDB information (chain, sequence position) and returns a pose's resid position. Useful for handing input/output in terms of PDB positions. Can be tucked into the pose for repeated access, or generated just-in-time for a single use. Basically a wrapper class for std::map |
| Cno_segID_comp | |
| CResidueKey | Sortable residue key internal to PDBPoseMap |
| CPose | A molecular system including residues, kinematics, and energies |
| CRID_Source | A class to hold information about where a ResidueIndexDescriptor comes from, to allow for better error messages |
| CRID_FileSource | Representation of a file input support A class to hold information about where a ResidueIndexDescriptor comes from, to allow for better error messages |
| CResidueIndexDescription | Class which can represent one of many ways in which to describe a particular residue in a pose, and can, when given a pose, find its index. The object should be constructed with all its needed parameters, but, one instance may be copied from another |
| CResidueIndexDescriptionPoseNum | Class which represents a residue index as a literal, Rosetta/Pose numbered integer |
| CResidueIndexDescriptionPDB | Class which represents a residue index as a PDB information (chain, resindex, insertion code) |
| CResidueIndexDescriptionRefPose | Class which represents a residue index as a reference-pose enabled information |
| CResidueIndexDescriptionLastResidue | Class which represents the last residue in the Pose |
| CResidueIndexDescriptionChainEnd | Class which represents the last residue in the Pose |
| CxyzStripeHashPose | |
| ►Nscoring | |
| ►Naa_composition_energy | |
| CAACompositionConstraint | |
| CAACompositionPropertiesSet | AACompositionPropertiesSet, a helper class that stores: |
| CAACompositionEnergySetup | AACompositionEnergySetup, a helper class for the AACompositionEnergy energy method that stores all of its setup data |
| CSequenceConstraint | |
| ►Nannealing | |
| CResidueArrayAnnealableEnergy | |
| ►Natomic_depth | |
| Cpoint3d | |
| Cvolumepixel | |
| Cvoxel | |
| Cvoxel2 | |
| CAtomicDepth | |
| ►Nbin_transitions | |
| CBinTransitionCalculator | |
| CBinTransitionCalculatorManager | A static singleton that ensures that BinTransitionCalculators load data from disk once, lazily, and in a threadsafe manner |
| CBinTransitionData | |
| ►Ncarbohydrates | |
| CCHIDihedralSamplingData | Struct for CHI-based dihedral sampling |
| CCHIEnergyFunction | |
| COmegaPreferenceSamplingData | Struct for Omega-Preference dihedral sampling |
| COmegaPreferencesFunction | |
| ►Ncarbon_hbonds | |
| CCarbonHBondEnergy | |
| CCarbonHBondEnergyCreator | |
| CCarbonHBondPotential | |
| ►Nconstraints | |
| CAmbiguousConstraint | Nested constraint where only the one with lowest energy is considered |
| CAmbiguousNMRConstraint | |
| CAmbiguousNMRDistanceConstraint | |
| CAngleConstraint | An Angular Constraint |
| CAtomPairConstraint | |
| CXYZs | |
| CAtomToAxisConstraint | |
| CBackboneStubConstraint | This constraint favors the backbone landing on a "stub" backbone, which puts the sidechain in a pre-determined desirable location |
| CBackboneStubLinearConstraint | This constraint favors the backbone landing on a "stub" backbone, which puts the sidechain in a pre-determined desirable location |
| CBasePairConstraint | |
| CAtomPairConstraintCreator | Constraint creator for the AtomPairConstraint constraint |
| CNamedAtomPairConstraintCreator | Constraint creator for the NamedAtomPairConstraint constraint |
| CBasePairConstraintCreator | Constraint creator for the BasePairConstraint constraint |
| CAngleConstraintCreator | Constraint creator for the AngleConstraint constraint |
| CDihedralConstraintCreator | Constraint creator for the DihedralConstraint constraint |
| CDihedralPairConstraintCreator | Constraint creator for DihedralPairConstraint |
| CBigBinConstraintCreator | Constraint creator for the BigBinConstraint constraint |
| CMultiConstraintCreator | Constraint creator for the MultiConstraint constraint |
| CAmbiguousConstraintCreator | Constraint creator for the AmbiguousConstraint constraint |
| CKofNConstraintCreator | Constraint creator for the KofNConstraint constraint |
| CCoordinateConstraintCreator | Constraint creator for the CoordinateConstraint constraint |
| CLocalCoordinateConstraintCreator | Constraint creator for the LocalCoordinateConstraint constraint |
| CAmbiguousNMRDistanceConstraintCreator | Constraint creator for the AmbiguousNMRDistanceConstraint constraint |
| CAmbiguousNMRConstraintCreator | Constraint creator for the AmbiguousNMRConstraint constraint |
| CSiteConstraintCreator | Constraint creator for the SiteConstraint constraint |
| CSiteConstraintResiduesCreator | Constraint creator for the SiteConstraintResidues constraint |
| CFabConstraintCreator | Constraint creator for the FabConstraint constraint |
| CNamedAngleConstraintCreator | Constraint creator for the NamedAngleConstraint |
| CBigBinConstraint | Constraint on dihedral angle formed by 4 points |
| CBoundFunc | |
| CPeriodicBoundFunc | Variant of the bound func that is periodic |
| COffsetPeriodicBoundFunc | Variant of the bound func that is periodic |
| CConstantConstraint | A Constant Constraint |
| CConstraint | Actually a restraint, like a virtual rubber band between a pair of atoms |
| CConstraintCreator | Abstract base class for a Mover factory; the Creator class is responsible for creating a particular mover class |
| CCstResNeighbIterator | |
| CCstResNeighbConstIterator | |
| CCstEnergyContainer | |
| CConstraintFactory | |
| CConstraintRegistrator | This templated class will register an instance of an ConstraintCreator (class T) with the ConstraintFactory. It will ensure that no ConstraintCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CConstraintNode | |
| CConstraintEdge | |
| CConstraintGraph | |
| CConstraintIO | |
| CConstraints | |
| CConstraintsEnergy | |
| CConstraintsEnergyCreator | |
| CResidueConstraints | |
| CConstraintSet | |
| CCoordinateConstraint | |
| CCstMinimizationData | |
| CDihedralConstraint | Constraint on dihedral angle formed by 4 points |
| CDihedralPairConstraint | Constraint on dihedral angle formed by 4 points |
| CDistancePairConstraint | Constraint on CA distance |
| CDOF_Constraint | This isn't quite a standard constraint since it acts on DOF's directly rather than on XYZ coordinates |
| CFabConstraint | |
| CKofNConstraint | |
| CLocalCoordinateConstraint | |
| CMembraneSpanConstraint | This class favors a particular residue identity at a particular position by reducing its res_type energy |
| CMembraneSpanTermZConstraint | This class favors a particular residue identity at a particular position by reducing its res_type energy |
| ►CMultiConstraint | |
| Cdont_copy_constraints | |
| CNamedAngleConstraint | |
| CObsolet_NamedAtomPairConstraint | |
| CNamedAtomPairConstraint | |
| CNamedDihedralConstraint | |
| CNonResidueTypeConstraint | This class favors a particular residue identity at a particular position by reducing its res_type energy |
| CResidueCouplingConstraint | This class favors a particular residue identity at two particular positions by adding the scaled tensor value to the energy map |
| CResidueTypeConstraint | This class favors a particular residue identity at a particular position by reducing its res_type energy |
| CResidueTypeLinkingConstraint | This class favors a particular residue identity at a particular position by reducing its res_type energy |
| CRTConstraint | |
| CSequenceProfileConstraint | |
| CSequenceProfileConstraintCreator | Constraint creator for the SequenceProfileConstraint constraint |
| CSiteConstraint | |
| CSiteConstraintResidues | |
| ►Ncryst | |
| CPhenixInterface | |
| ►Ncustom_pair_distance | |
| CRespairInteractions | |
| Catoms_and_func_struct | |
| Cresatom_and_func_struct | |
| CAtomPairFuncList | |
| CPairFuncMap | |
| CFullatomCustomPairDistanceEnergy | |
| CDistanceFunc | |
| CFullatomCustomPairDistanceEnergyCreator | |
| ►Ndisulfides | |
| CCentroidDisulfideNeighborIterator | An iterator over the disulfide bonds a residue forms |
| CCentroidDisulfideNeighborConstIterator | Just a const version of CentroidDisulfideNeighborIterator |
| CCentroidDisulfideEnergyComponents | Storage for Disulfide Energy Terms |
| CCentroidDisulfideEnergyContainer | |
| CCentroidDisulfidePotential | |
| CCb_Distance_Func | Score based on the distance between Cb |
| CCen_Distance_Func | |
| CCaCbCb_Angle_Func | |
| CNCaCaC_Dihedral_Func | |
| CCaCbCbCa_Dihedral_Func | |
| CDisulfideAtomIndices | This class is used by the *DisulfideEnergyContainer and the *DisulfidePotential classes to rapidly index into a residue that's known to form a disulfide. For the sake of computing derivatives, there are only three atoms that need to be readily available: CA, CB, and the atom which makes the disulfide bond, either SG or CEN. The DisulfideEnergyContainer is responsible for keeping the indices in one of these objects up-to-date with the residue it is meant to shadow |
| CDisulfideMatchingDatabase | |
| CDisulfideMatchingNeighborIterator | An iterator over the disulfide bonds a residue forms |
| CDisulfideMatchingNeighborConstIterator | Just a const version of DisulfideMatchingNeighborIterator |
| CDisulfideMatchingEnergyComponents | Storage for Disulfide Energy Terms |
| CDisulfideMatchingEnergyContainer | |
| CDisulfideMatchingPotential | |
| CRT_helper | |
| CDisulfResNeighbIterator | |
| CDisulfResNeighbConstIterator | |
| CFullatomDisulfideEnergyComponents | |
| CFullatomDisulfideEnergyContainer | |
| CFullatomDisulfideParams13 | |
| CFullatomDisulfidePotential | |
| CCBSG_Dihedral_Func | |
| CSGSG_Dihedral_Func | |
| CCB_Angle_Func | |
| CSG_Dist_Func | |
| ►Ndna | |
| CBasePartner | Silly vector1 wrapper class so we can derive from PoseCachedData |
| CDirectReadoutPotential | 1st pass implementation of Kono + Sarai's protein-DNA interaction potential |
| CDNA_BasePotential | |
| CDNA_DihedralPotential | |
| CDNA_EnvPairPotential | |
| CTorsionFourierComponent | |
| CDNABFormPotential | |
| CDNATorsionPotential | |
| ►Ndssp | |
| CDssp | |
| CPairing | |
| CStrandPairing | |
| CStrandPairingSet | |
| ►Nelec | |
| ►Nelectrie | |
| CElecAtom | |
| CElecTrieEvaluator | |
| CCountPairRepresentative | |
| Cweight_triple | |
| CCountPairRepMap | A class to encapsulate the raw-pointer-based data caching |
| CFA_ElecEnergy | |
| CFA_ElecEnergyCreator | |
| CElecGroup | |
| CGroupElec | |
| ►Nelectron_density | |
| CElectronDensity | |
| CposeCoord | |
| CKromerMann | |
| COneGaussianScattering | |
| ►Nelectron_density_atomwise | |
| CElectronDensityAtomwise | |
| ►Nepr_deer | |
| ►Nmetrics | |
| CDEERChiSqMethod | |
| CDEERData | Base class |
| CDEERDecayData | Derived class that stores DEER decay data |
| CDEERDistanceBounds | Derived class for storing the data as a bounded function. @detail Contains the upper and lower bounds, as well as steepness. If the average simulated distance falls within these bounds the score is zero If the average falls outside, it is evaluated via the steepness For example: ( ( lb - d ) / s ) ^2 OR ( ( d - ub ) / s ) ^2 lb: Lower bound ub: Upper bound d: Avg distance s: Steepness |
| CDEERDistanceDistribution | |
| CDEERJaccardMethod | |
| CDEERJSMethod | |
| CDEERMiscMethod | |
| CDEEROverlapMethod | |
| CDEERDataCache | |
| CDEERIO | |
| CEPRSpinLabel | |
| CSimulated4PDEERTrace | |
| CSimulated4PDEERTraceFactory | |
| ►Netable | |
| ►Ncoulomb | |
| CCoulomb | |
| ►Ncount_pair | |
| CCountPair1B | |
| CCountPair2B | |
| CCountPairAll | |
| CCountPairCrossover3 | |
| CCountPairCrossover34 | |
| CCountPairCrossover3full | |
| CCountPairCrossover4 | |
| CCountPairFactory | |
| CInvoker | |
| CCountPairFunction | |
| CCountPairGeneric | |
| CCountPairIntraRes | |
| CCountPairNone | |
| ►Netrie | |
| CCountPairData_1_1 | |
| CCountPairData_1_2 | |
| CCountPairData_1_3 | |
| CGenericResidueConnectionData | |
| CCountPairDataGeneric | |
| CEtableAtom | |
| CTrieCountPair1BC3 | |
| CTrieCountPair1BC4 | |
| CTrieCountPairAll | |
| CTrieCountPairGeneric | |
| CTrieCountPairNone | |
| CAtomPairEnergy | |
| CBaseEtableEnergy | |
| CResResEnergyInvoker | |
| CWholeWholeEnergyInvoker | |
| CSC_BB_EnergyInvoker | |
| CSC_Whole_EnergyInvoker | |
| CBB_BB_EnergyInvoker | |
| CSC_SC_EnergyInvoker | |
| CExtraQuadraticRepulsion | ExtraQuadraticRepulsion class is used to add in extra repulsion for particular atom pairs, if needed, (e.g. for OCbb/OCbb) where the functional form is: fa_rep += (xhi - x)^2 * slope for values of x between xlo and xhi, and fa_rep += (x - xlo ) * extrapolated_slope + ylo where extrapolated slope can be anything, but, to defined a function with continuous derivatives, should be extrapolated_slope = (xhi-xlo)^2*slope. This is the analytical implementation of the "modify_pot" behavior |
| CEtableParamsOnePair | EtableParamsOnePair describes all of the parameters for a particular pair of atom types necessary to evaluate the Lennard-Jones and LK solvation energies |
| CEtable | Class definition for Etable |
| CEtableEvaluator | |
| CAnalyticEtableEvaluator | |
| CTableLookupEvaluator | |
| CTableLookupEtableEnergy | |
| CAnalyticEtableEnergy | |
| CEtableEnergyCreator | |
| CEtableClassicIntraEnergyCreator | |
| CEtableOptions | |
| CMembEtable | Table of pre-computed LK membrane solvation energies |
| ►Nfacts | |
| CFACTSPoseInfo | |
| CFACTSPotential | |
| CFACTSRsdTypeInfo | |
| CFACTSRsdTypeMap | The FACTSRsdTypeMap is a collection of FACTSRsdTypeInfo for a number of residue types (This is a separate class to shield the raw pointer usage here |
| CFACTSResidueInfo | |
| CFACTSRotamerSetInfo | |
| ►Nfiber_diffraction | |
| CCentroidScatter | Silly vector1 wrapper class so we can derive from PoseCachedData |
| CFAScatter | Silly vector1 wrapper class so we can derive from PoseCachedData |
| CFiberDiffraction | |
| CHankel | |
| CKromerMann | |
| COneGaussianScattering | |
| ►Nfunc | |
| CAmberPeriodicFunc | Function of type y = 0.5 * k * (1 - cos(n * (x - x0) ) ) |
| CCharmmPeriodicFunc | Function of type y = 0.5 * k * (1 - cos(n * (x - x0) ) ) |
| CCircularGeneral1D_Func | Function that allows return of arbitrary FArrays – this time circularized |
| CCircularHarmonicFunc | Function that operates in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints |
| CCircularPowerFunc | Generalization of CircularCircularPowerFunc – other exponents allowed |
| CCircularSigmoidalFunc | Function that operates in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints |
| CCircularSplineFunc | |
| CConstantFunc | Derived class of class Func representing a Constant distribution with a user-specified mean and standard deviation |
| CCountViolFunc | |
| CEtableFunc | Class for representing arbitrarily defined functions |
| CFadeFunc | |
| CFlatHarmonicFunc | |
| CFourPointsFunc | A simple class that represents the coordinates of four points, pretending that they all belong to residue 1. The residue() method is not implemented and cause a utility_exit |
| CFunc | Func is an abstract base class representing a function used to define constraints, in which func(r) gives the constraint score for the given value r |
| CFuncFactory | |
| CGaussianChainDoubleFunc | |
| CGaussianChainFunc | |
| CGaussianChainGeneralFunc | |
| CGaussianChainQuadrupleFunc | |
| CGaussianChainSingleFunc | |
| CGaussianChainTripleFunc | |
| CGaussianFunc | Derived class of class Func representing a Gaussian distribution with a user-specified mean and standard deviation |
| CHarmonicFunc | |
| CIdentityFunc | |
| CKarplusFunc | Function that evaluates a J-coupling from dihedral angles in radians, for applications like DihedralConstraint. Prevents discontinuities at 0/360 or -180/180 degrees for dihedral constraints |
| CLinearPenaltyFunction | |
| CMinMultiHarmonicFunc | |
| CMixtureFunc | Derived class of class Func representing a Mixture of several distinct functions. The function is of the form ln( g(r) / h(r) ), where g(r) is a mixture of a Gaussian and Exponential distributions, and h(r) is a Gaussian distribution. See methods and implementation for more information |
| CPeriodicFunc | Function of type y = ( k * cos(n * (x - x0) ) ) + C |
| CScalarWeightedFunc | |
| CSigmoidFunc | |
| CSkipViolFunc | |
| CSmoothStepFunc | |
| CSoedingFunc | Derived class of class Func representing a Soeding distribution with a user-specified mean and standard deviation |
| CSOGFunc | Derived class of class Func representing a SOG distribution with a user-specified mean and standard deviation |
| CSOGFunc_Impl | Derived class of class Func representing a SOG distribution with a user-specified mean and standard deviation |
| CSplineFunc | |
| CSquareWell2Func | |
| CSquareWellFunc | |
| CSumFunc | |
| CTopOutFunc | |
| CUSOGFunc | Unnormalized, unbounded sum of Gaussians constraint |
| CXYZ_Func | Just a simple class that takes an AtomID and returns a Vector (position) |
| CResidueXYZ | |
| CResiduePairXYZ | |
| CConformationXYZ | |
| ►Ngeometric_solvation | |
| CDatabaseOccSolEne | |
| CGeometricSolEnergyEvaluator | |
| ►Nhbonds | |
| ►Ngraph | |
| CAtomInfo | |
| CAtomInfoSet | |
| CHBondNode | Each HBondNode represents a rotamer from the RotamerSets object |
| CHBondEdge | Each HBondEdge represents a hydrogen bond |
| CHBondGraph | |
| CLKHBondInfo | |
| CHBondInfo | |
| ►Nhbtrie | |
| CHBAtom | |
| CHBCountPairFunction | |
| CHBCPData | |
| CHBondsTrieVsTrieCachedDataContainer | A class for passing data to the trie-vs-trie calculation for hydrogen bonds, without having to cache it in mutable data in the HBondEnergy method or whatnot |
| CFadeInterval | Classic FadeInterval |
| CHBEvalTuple | |
| CHBondDatabase | |
| CHBondResidueMinData | A class to hold data for the HBondEnergy class used in score and derivative evaluation |
| CHBondResPairMinData | |
| CHBondEnergy | |
| CHBondEnergyCreator | |
| CHBondOptions | |
| CSSWeightParameters | Weights and Options /// |
| CAssignmentScaleAndDerivVectID | Classes (that probably shouldn't be in here!!! ) /// |
| CHBDerivAssigner | |
| CHBond | |
| CHBondSet | A class that holds Hbond objects and helps setup Hbonds for scoring |
| CHBondTypeManager | |
| CNPDHBondSet | A class that holds Hbond objects and helps setup Hbonds for scoring |
| CPolynomial_1d | |
| CHBondDerivs | |
| ►Ninterface_ | |
| CDDPlookup | |
| CDDPscore | |
| CDDPscoreCreator | |
| ►Nlkball | |
| ►Nlkbtrie | |
| CLKBAtom | |
| CLKBTrieEvaluator | |
| CLK_BallInvoker | |
| CLK_Ball_RPE_Invoker | |
| CLK_Ball_BB_BB_E_Invoker | |
| CLK_Ball_BB_SC_E_Invoker | |
| CLK_Ball_SC_SC_E_Invoker | |
| CLKB_ResPairMinData | |
| CScoredBridgingWater | |
| CLK_BallEnergy | |
| CLK_BallEnergyCreator | |
| CWaterBuilder | |
| CWaterBuilderForRestype | |
| CLKBallDatabase | A singleton class which stores data for LKBall terms. This is a separate singleton class, rather than static data on the LKB_ResidueInfo class so that the ResidueType destruction observer has a stable object to call back to |
| CLKB_ResidueInfo | LKB_ResidueInfo holds the coordinates of the waters attached to a Residue |
| CLKB_ResiduesInfo | |
| CLK_DomeInvoker | |
| CLK_Dome_RPE_Invoker | |
| CLKD_ResPairMinData | |
| CLK_DomeEnergy | |
| CDerivativeFinder | |
| CDerivativeFinderWadj | |
| CLK_DomeEnergyCreator | |
| CLKD_ResidueInfo | |
| ►Nloop_graph | |
| ►Nevaluator | |
| CGaussianChainFuncPotentialEvaluator | |
| CLoopClosePotentialEvaluator | |
| CSixDTransRotPotential | |
| CSixDTransRotPotentialEvaluator | |
| CLoop | |
| CLoopCycle | |
| Ccycle_printer | |
| CLoopGraph | |
| ►Nmagnesium | |
| CMgKnowledgeBasedPotential | |
| ►Nmembrane | |
| CMembraneData | Mmebrane Data Class |
| CMPNonHelixPenalty | Class Membrane Non Helix Penalty |
| CMPNonHelixPenaltyCreator | Membrane Non Hleix in mmebrane Penalty Creator Class |
| CMPTerminiPenalty | Class Membrane Termini Penalty |
| CMPTerminiPenaltyCreator | Membrane Termini Penalty Creator Class |
| CMPTMProjPenalty | Class Membrane TM proj Penalty |
| CMPTMProjPenaltyCreator | Membrane TM Proj Penalty Creator Class |
| ►Nmethods | |
| ►Ndfire | |
| CDFIRE_Potential | |
| CResidueAtomOverlaps | |
| CCartBondedParameters | |
| CBBIndepCartBondedParameters | |
| CBBDepCartBondedParameters | |
| CContextDependentLRTwoBodyEnergy | |
| CContextDependentOneBodyEnergy | |
| CContextDependentTwoBodyEnergy | |
| CContextIndependentLRTwoBodyEnergy | |
| CContextIndependentOneBodyEnergy | |
| CContextIndependentTwoBodyEnergy | |
| CEnergyMethod | Base class for the energy method hierarchy |
| CEnergyMethodCreator | The EnergyMethodCreator class's responsibilities are to create on demand a new EnergyMethod class, and to tell the ScoringManager singleton which ScoreTypes the EnergyMethod it creates is responsible for. The EnergyMethodCreator must register itself with the ScoringManager at load time (before main() begins) so that the ScoringManager is ready to start creating EnergyMethods by the time the first ScoreFunction requests one |
| CEnergyMethodOptions | |
| CEnergyMethodRegistrator | This templated class will register an instance of an EnergyMethodCreator (class T) with the ScoringManager. It will ensure that no energy method creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CFreeDOF_Options | |
| CLongRangeTwoBodyEnergy | |
| CMMBondAngleEnergy | |
| CMMBondAngleEnergyCreator | |
| CMMBondLengthEnergy | |
| CMMBondLengthEnergyCreator | |
| CMMLJEnergyInter | |
| CMMLJEnergyInterCreator | |
| CNeighborListData | |
| CMMLJEnergyIntra | |
| CMMLJEnergyIntraCreator | |
| CMMTorsionEnergy | |
| CMMTorsionEnergyCreator | |
| COneBodyEnergy | |
| CPyEnergyMethodRegistrator | This class will register an instance of an EnergyMethodCreator (class T) with the ScoringManager. It will ensure that no energy method creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CShortRangeTwoBodyEnergy | |
| CTwoBodyEnergy | |
| CWholeStructureEnergy | Base class for EnergyMethods which are meaningful only on entire structures, for example, the Radius of Gyration. These EnergyMethods do all of their work in the "finalize_total_energy" section of score function evaluation |
| CNMerPSSMEnergy | |
| CNMerPSSMEnergyCreator | |
| CNMerRefEnergy | |
| CNMerRefEnergyCreator | |
| CNMerSVMEnergy | |
| CNMerSVMEnergyCreator | |
| ►Nmhc_epitope_energy | |
| CMHCEpitopeConstraint | |
| CMHCEpitopeEnergySetup | MHCEpitopeEnergySetup, a helper class for the MHCEpitopeEnergy energy method that stores all of its setup data |
| CMHCEpitopePredictor | |
| CMHCEpitopePredictorExternal | |
| CAlleleMatrix | The scoring matrix for one specific allele |
| CMHCEpitopePredictorMatrix | An predictor based on a set of allele-specific profiles of which peptides are likely to be binders |
| CMHCEpitopePredictorPreLoaded | |
| CMHCEpitopePredictorSVM | |
| ►Nmm | |
| ►Nmmtrie | |
| CMMEnergyTableAtom | |
| CMMBondAngleLibrary | |
| CMMBondAngleResidueTypeParam | |
| CMMBondAngleResidueTypeParamSet | |
| CMMBondAngleScore | Calculates scores of mm bond angle paramater sets given an angle |
| CMMBondLengthLibrary | |
| CMMBondLengthScore | |
| CMMLJEnergyTable | Blah |
| CMMLJLibrary | A class to maintain a set of MM LJ paramaters |
| CMMLJScore | Calculates scores of mm lj paramater sets given two mm atom types, the path distance of the 2 atoms and actual distance between the two atoms |
| CMMTorsionLibrary | A class to maintain a set of MM torsion paramaters |
| CMMTorsionScore | Calculates scores of mm torsion paramater sets given an angle |
| ►Nmotif | |
| CMyHash | |
| CMyPred | |
| CRMSandEnergyCMP | |
| CXformScore | |
| CRPM_FilterStats | |
| CResPairMotif | |
| CResPairMotifMetaBinner | |
| CResPairMotifs | |
| CMotifHit | |
| CMotifHitStats | |
| CMotifHits | |
| CResPairMotifQuery | |
| CXformSummary | |
| CMotifHash | |
| CMotifHashManager | |
| CXfres | |
| CXfrag | |
| CXfragSet | |
| ►Nnetcharge_energy | |
| CNetChargeConstraint | |
| CNetChargeEnergySetup | NetChargeEnergySetup, a helper class for the NetChargeEnergy energy method that stores all of its setup data |
| ►Nnmr | |
| ►Npcs | |
| CPCSData | |
| CPCSMultiSet | |
| CPCSSingle | |
| CPCSSingleSet | |
| CPCSTensor | |
| ►Npre | |
| CPREData | |
| CPREMultiSet | |
| CPRESingle | |
| CPRESingleSet | |
| ►Nrdc | |
| CRDCData | |
| CRDCMultiSet | |
| CRDCSingle | |
| CRDCSingleSet | |
| CRDCTensor | |
| CNMRDataFactory | |
| CNMRDummySpinlabelConformer | Class that stores information about one dummy spinlabel conformer (e.g. atom names and xyz coordinates, and whether it clashes with neighboring amino acid residues or not). A vector of NMRDummySpinlabelConformer objects is member of class NMRDummySpinlabelEnsemble |
| CNMRDummySpinlabelEnsemble | Class that represents a "dummy" spinlabel ensemble. It holds information about each individual conformer member (atom coordinates, number of observations) and data to score those based on atom clashes with the neighborhood of the ensemble. To speed up the clash score calculation, this class holds also an object of type NMRDummySpinlabelVoxelGrid which gets filled with constant pointers to NMRDummySpinlabelAtoms |
| CVoxelGridPoint | Base class of a point object from which the voxel grid is created |
| CNMRDummySpinlabelAtom | Derived class of VoxelGridPoint to store the 3D coordinates of one atom of a NMRDummySpinlabelConformer. NMRDummySpinlabelAtom is also a member of NMRDummySpinlabelConformer and holds a const pointer to its outer class |
| CVoxelGridPoint_AA | Derived class of VoxelGridPoint to store the 3D coordinates of one atom of an amino acid residue. In addition, it holds a const pointer to the residue object to which it refers to |
| CNMRDummySpinlabelVoxelGrid | Derived class of VoxelGrid to create a grid of VoxelGridPoint objects |
| CNMRGridSearch | |
| CNMRSpinlabel | |
| CNMRTensor | |
| ►Nnv | |
| CNVlookup | |
| CNVscore | |
| CNVscoreCreator | |
| ►Norbitals | |
| COrbitalsLookup | |
| COrbitalsScore | |
| COrbitalsScoreCreator | |
| COrbitalsStatistics | |
| ►Npacking | |
| CBall | |
| CHolesResult | Result class holding the three scores and the per-atom scores |
| CHolesEnergyRes | |
| CHolesParams | |
| CHolesParamsRes | |
| CPoseBalls | |
| CPoseBallsLite | |
| CSurfVol | |
| CSurfVolDeriv | |
| ►Npackstat | |
| CAtomRadiusMap | |
| CCavityBall | |
| COrderSphereOnX | |
| COrderSphereOnID | |
| COrderCavBallOnX | |
| COrderCavBallOnRmE | |
| COrderCavBallOnR | |
| COrderCavBallOnRmAnb | |
| CSasaResult | |
| CSasaOptions | |
| CCavityBallCluster | |
| COrderCBC | |
| CHTL_EventX | |
| CAccumulator | |
| CAreaAccumulator | |
| CLR_AtomData | |
| CPerSphereAccumulator | |
| CLR_MP_AtomData | |
| CMultiProbePoseAccumulator | |
| CMultiProbePerSphereAccumulator | |
| CPoint | |
| CPointPair | |
| CCircle | |
| CEvent | |
| CSlice | |
| Ctrace | |
| CArray2D | |
| COctree2D | |
| CLeeRichards | |
| CPackingScoreResData | |
| CPackingScore | |
| CSimplePDB | |
| CSimplePDB_Atom | |
| CSphere | |
| CPosePackData | |
| ►Npower_diagram | |
| CPDinter | |
| CSAnode | |
| CPDsphere | |
| CPDvertex | |
| CPowerDiagram | |
| ►Nrna | |
| ►Nchemical_shift | |
| CChemicalShiftData | |
| CRNA_ChemicalShiftPotential | |
| CRNA_CS_residue_parameters | |
| CRNA_CS_parameters | |
| ►Ndata | |
| CRNA_DMS_LowResolutionPotential | |
| CRNA_DMS_Potential | |
| CRNA_AtomVDW | |
| CRNA_CentroidInfo | Keep track of RNA centroid information inside the pose. / Rhiju move this to its own namespace! |
| CRNA_EnergyMethodOptions | |
| CRNA_LowResolutionPotential | |
| CRNA_LowResolutionPotentialCreator | |
| CRNA_Motif | |
| CRNA_Motifs | |
| CRNA_ScoringInfo | Keep track of RNA centroid, useful atom, base-base info inside the pose |
| CRNA_SuitePotential | |
| CRNA_TorsionPotential | |
| CRNP_LowResPairDistPotential | |
| CRNP_LowResPotential | |
| CRNP_LowResStackData | |
| CTNA_SuitePotential | |
| ►Nsasa | |
| CLeGrandSasa | LeGrand SASA approximation method Used by SasaCalc but can be used by itself. Virt atms are skipped as radii=0 |
| CSasaCalc | Main interface to sasa calculations outside of pose metrics. Virt atms are skipped as radii=0 |
| CSasaMethod | Abstract base class for SasaMethods. Feel free to edit as needed. Virt atms are skipped as radii=0 |
| ►Nsaxs | |
| CDistanceHistogram | |
| CFormFactor | |
| CFormFactorManager | Selects a given number of fragments using a quota scheme |
| CSinXOverX | |
| ►Nsc | |
| CContactMolecularSurfaceCalculator | |
| CElectrostaticComplementarityResults | |
| CElectrostaticComplementarityCalculator | |
| CElectrostaticSimilarityResults | |
| CElectrostaticSimilarityCalculator | |
| CCloserToAtom | A small struct to report which of two atoms is closer to a given atom: |
| C_RESULTS | |
| C_ATOM_RADIUS | |
| C_DOT | |
| C_PROBE | |
| CAtom | |
| CMolecularSurfaceCalculator | |
| CShapeComplementarityCalculator | |
| CShapeComplementarityCalculatorException | |
| CShapeSimilarityCalculator | |
| ►Nsolid_surface | |
| CSurfaceEnergies | |
| ►Nsym_e | |
| CsymEnergy | |
| CsymECreator | |
| ►Nsymmetry | |
| CSymmetricEnergies | |
| CSymmetricScoreFunction | This class is provided as a backward compatibility shim At this point it should be identical to the base ScoreFunction |
| ►Ntrie | |
| CCPDataCorrespondence | |
| CRotamerDescriptor | |
| CRotamerDescriptorAtom | |
| CRotamerTrie | |
| CTrieNode | |
| CRotamerTrieBase | |
| CTrieCollection | |
| CTrieCountPairBase | |
| CTrieVsTrieCachedDataContainerBase | A generic base class for passing data to the trie-vs-trie calculation, without having to cache it in mutable data in an EnergyMethod or whatnot |
| ►Nvdwaals | |
| CVDW_Energy | |
| CVDWTrieEvaluator | |
| CVDW_EnergyCreator | |
| CVDWAtom | |
| CVDWTrieCountPair1B | |
| CAPBSWrapper | |
| CPQR | |
| CAPBSResult | |
| ►CAPBSConfig | |
| CI_PARAM | |
| CR_PARAM | |
| CAtomVDW | |
| CCenHBPotential | |
| CCenRotEnvPairPotential | |
| CChemicalShiftAnisotropy | ChemicalShiftAnisotropys are mainly handled by this class @detail related classed: CSA — a single line in an CSA file - representing a single csa coupling ChemicalShiftAnisotropyEnergy – an energy method which triggers computations handled by this class |
| CCSA | |
| CContextGraph | |
| CContextGraphFactory | |
| CDenseNeighborIterator | |
| CDenseNeighborConstIterator | |
| CDenseEnergyContainer | |
| CDensityZscoresStatsSetup | |
| CDerivVectorPair | A glorified struct for holding f1/f2 vectors used to represent the derivatives in our internal-geometry based minimization algorithms |
| CDipolarCoupling | DipolarCouplings are mainly handled by this class @detail related classed: DC — a single line in an DC file - representing a single dc coupling DipolarCouplingEnergy – an energy method which triggers computations handled by this class |
| CDC | |
| CDockingScoreFunction | |
| CEnergies | A cached energies object |
| CEnergyNode | |
| CEnergyEdge | |
| CEnergyGraph | Class to hold the component energies between pairs of residues. Each node represents a residue in its corresponding structure. Each edge in the graph holds a two-body energy map representing the unweighted components of the energy function for those terms with non-zero weight. The EnergyGraph may be accessed from the pose's Energies object, but at a price of an extra score evaluation. This second score evaluation may be avoided if you use the ScoreFunction::score_components( pose ) method |
| CEMapVector | A vector for storing energy data, initially all values are 0 |
| CCenListInfo | Keep track of the cenlist information |
| CEnvPairPotential | |
| CGenBornResidueInfo | |
| CGenBornPoseInfo | |
| CGenBornRotamerSetInfo | |
| CGenBornPotential | |
| CBondOrderParser | |
| CSpringParams | Parameter set for one torsion angle |
| CGenTorsionParams | Parameter set for one torsion angle |
| CGenericBondedPotential | Potential for core/scoring/methods/GenericBondedEnergy method |
| CResidueExclParams | |
| CGenBondedExclInfo | |
| CTorsionParams | |
| CHydroxylTorsionPotential | |
| ►ClDDT_Calculator | Calculate the lDDT between the reference and the model. https://dx.doi.org/10.1093/bioinformatics/btt473 Uses the same defaults as https://swissmodel.expasy.org/lddt/ Not implemented is any consideration for stereochemical/bond/angle deviation penalties |
| ClDDT_Cache | A class to handle caching the calculations for the lddt, to speed things |
| ClDDT_Data | A class to store information about the various statistic counts |
| CResidueNeighborIterator | |
| CResidueNeighborConstIterator | |
| CLREnergyContainer | |
| CMembrane_FAEmbed | Membrane Fullatom embedding info |
| CMembrane_FAPotential | Mmebrane Fullatom Potential - Scoring Class |
| CMembraneEmbed | Whole Pose Membrane Embedding |
| CMembranePotential | Rosetta Membrane Low Resolution Scoring Methods |
| CMembraneTopology | |
| CResSingleMinimizationData | |
| CResPairMinimizationData | |
| CMinimizationNode | |
| CMinimizationEdge | |
| CMinimizationGraph | Class to hold all the minimization-specific data that's required to efficiently evaluate the score function and its derivatives on a structure of fixed sequence and chemical identity |
| CMinScoreScoreFunction | |
| CMultipoleElecResidueInfo | |
| CMultipoleElecPoseInfo | |
| CMultipoleElecRotamerSetInfo | |
| CMultipoleParameter | |
| CMultipoleElecPotential | |
| CAtomNeighbor | Atom-atom neighborlist object |
| CNeighborList | |
| COmegaTether | |
| COneDDistPotential | |
| COneToAllNeighborIterator | |
| COneToAllNeighborConstIterator | |
| COneToAllEnergyContainer | |
| CP_AA | |
| CP_AA_ABEGO3 | |
| CP_AA_ss | |
| CPairEPotential | |
| CtableID | |
| CPointWaterPotential | |
| CPoissonBoltzmannPotential | |
| CPolymerBondedNeighborIterator | |
| CPolymerBondedNeighborConstIterator | |
| CPolymerBondedEnergyContainer | |
| CProQPotential | |
| CRamachandran | |
| CRamachandran2B | |
| CRamaPrePro | |
| Cdata_struct | |
| CResidualDipolarCoupling | ResidualDipolarCouplings are mainly handled by this class @detail related classed: RDC — a single line in an RDC file - representing a single dipolar coupling ResidualDipolarCouplingEnergy – an energy method which triggers computations handled by this class |
| CRDC | |
| CResidualDipolarCoupling_Rohl | |
| CRDC_Rohl | |
| CSmallAtNb | |
| CResidueNblistData | |
| CResiduePairNeighborList | |
| CPredicate | |
| CIsProteinCAPredicate | |
| CIsMainAtomPredicate | |
| CIsHeavyAtomPredicate | |
| CIsProteinBackbonePredicate | |
| CIsProteinBackboneIncludingOPredicate | |
| CIsSpecificAtomsPredicate | |
| CResRangePredicate | |
| CSelectedResPredicate | |
| CExcludedResPredicate | |
| CPDatom | |
| CPDvertex | |
| CPDinter | |
| CSAnode | |
| CSASAPotential | |
| CScoreFunction | This object defines a ScoreFunction, it contains methods for calculating the various scoring components (called ScoreType's) used in Rosetta. It also contains weights that are applied to each of those components. Only scoring components with non-zero weights are calculated |
| CScoreFunctionKey | A key for looking up previously-loaded scorefunctions (which the ScoreFunctionFactory stores in a map of owning pointers indexed by keys of this type) |
| CScoreFunctionFactory | A static singleton for making a single score_function |
| CScoreFunctionInfo | Info on the scorefunction settings |
| CScoreTypeManager | |
| CScoringManager | |
| CDimerPairing | |
| CSecondaryStructurePotential | Secondary structure scoring cut from classic rosetta structure.h/structure.cc |
| CSecondaryStructureWeights | Holds weights and flags for configuring a SecondaryStructureEnergy evaluation |
| CSigmoidWeightedCenList | Keep track of the cenlist information stores both centroid counts (T = Real) as well as d_centroid_counts (T = Vector) |
| CSmoothScoreTermCoeffs | |
| CSmoothEnvPairPotential | |
| CSplitUnfoldedTwoBodyPotential | |
| CBB_Pos | |
| CStrands | |
| CHelices | |
| CSS_Info | |
| CHairpin | |
| CHairpins | |
| CSS_Killhairpins_Info | |
| CTenANeighborNode | |
| CTenANeighborEdge | |
| CTenANeighborGraph | |
| CTMscoreStore | |
| CTMscore | |
| CTwelveANeighborNode | |
| CTwelveANeighborEdge | |
| CTwelveANeighborGraph | |
| CUnfoldedStatePotential | |
| CVdWTinkerResidueInfo | |
| CVdWTinkerPoseInfo | |
| CVdWTinkerRotamerSetInfo | |
| CVdWTinkerPotential | |
| CWaterAdductHBondPotential | |
| ►Nselect | |
| ►Njump_selector | |
| CAndJumpSelector | The AndJumpSelector combines the output of multiple JumpSelectors using AND logic, i.e., only jumps selected by ALL contained JumpSelectors will be selected. JumpSelecters can be pulled in from a DataMap, from subtags (for JumpSelectors known to the JumpSelectorFactory) or programmatically through add_jump_selector |
| CAndJumpSelectorCreator | |
| CExclusivelySharedJumpSelector | |
| CExclusivelySharedJumpSelectorCreator | |
| CInterchainJumpSelector | The InterchainJumpSelector returns a JumpSubset, i.e. a utility::vector1< bool > containing 'true' for jump where the take-off residue is on a different chain from the landing residue |
| CInterchainJumpSelectorCreator | |
| CJumpForResidue | |
| CJumpForResidueCreator | |
| CJumpIndexSelector | The JumpIndexSelector returns a JumpSubset, i.e. a utility::vector1< bool > containing 'true' for jump positions which lie upstream of a given jump in the FoldTree. The jump is specified by its integer index |
| CJumpIndexSelectorCreator | |
| CJumpSelector | |
| CJumpSelectorCreator | |
| CJumpSelectorFactory | |
| CJumpSelectorRegistrator | This templated class will register an instance of an JumpSelectorCreator (class T) with the JumpSelectorFactory. It will ensure that no JumpSelector creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CNotJumpSelector | The NotJumpSelector negates the input of one loaded JumpSelector, i.e., it is a logical NOT - it selects all unselected jumps and deselects the selected ones. True becomes false, false becomes true. The JumpSelector to be negated can be pulled in through RosettaScipt using the selector option, subtags for JumpSelectors known to the JumpSelectorFactory or programmatically using set_jump_selector. Note that since most JumpSelectors clear the input JumpSubset, NOT can be thought of as simply selecting the opposite of the passed in selector |
| CNotJumpSelectorCreator | |
| COrJumpSelector | The OrJumpSelector combines the output of multiple JumpSelectors using OR logic, i.e., jumps selected by ANY of the contained JumpSelectors will be selected. JumpSelectors can be pulled in from a DataMap, from subtags (for JumpSelectors known to the JumpSelectorFactory) or programmatically through add_jump_selector |
| COrJumpSelectorCreator | |
| ►Nmovemap | |
| ►CMoveMapFactory | |
| CMMJumpAction | An action for a set of Jumps |
| CMMResAction | An action to be applied to a residue all members of a particular part (i.e. all backbone torsions, or all chi torsions) |
| CMMResIndexAction | An action for a particular indexed thing (i.e. a particular backbone, or a particular chi torsion) |
| ►Nresidue_selector | |
| CAndResidueSelector | The AndResidueSelector combines the output of multiple ResidueSelectors using AND logic, i.e., only residues selected by ALL contained ResidueSelectors will be selected. ResidueSelecters can be pulled in from a DataMap, from subtags (for ResidueSelectors known to the ResidueSelectorFactory) or programmatically through add_residue_selector |
| CAsymmetricUnitSelector | A residue selector for selecting the master subunit in a symmetrical pose. If not symmetrical, will select the whole pose |
| CAsymmetricUnitSelectorCreator | |
| CBFactorSelector | A residue selector dependent on b-factor values |
| CBFactorSelectorCreator | |
| CBinSelector | A ResidueSelector that selects residues based on their torsion bin (e.g. ABEGO bin) |
| CBlockSelector | Selectes a specified continuous block of previously selected residues |
| CBlockSelectorCreator | |
| CBondedResidueSelector | The BondedResidueSelector selects residues that are connected to some set of residues (input_set) by a chemical bond. The input_set can be directly set using a set of residue positions or by a ResidueSelector |
| CCachedResidueSubset | |
| CChainSelector | |
| CCloseContactResidueSelector | A class that finds the neighboring residues for a particular residue by looking at atom-atom distances |
| CCloseContactResidueSelectorCreator | |
| CConfluentSelector | Selector that selects all the residues between those selected by another selector that are not interspersed with those selected by a third selector |
| CConfluentSelectorCreator | |
| CDensityFitResidueSelector | Selects residues that are considered 'error' region with respect to the density resolution |
| CFalseResidueSelector | |
| CFractionSelector | Selects only either the first or the last residue selected by a provided ResidueSelector |
| CFractionSelectorCreator | |
| CGlycanLayerSelector | A selector for choosing glycan residues based on their layer - as measured by the residue distance to the start of the glycan tree. If no layer is set, will select all glycan residues |
| CGlycanLayerSelectorCreator | |
| CGlycanPositionSelector | A Residue Selector for selecting specific parts of arbitrary glycans by 'position' |
| CGlycanResidueSelector | A ResidueSelector for carbohydrates and individual carbohydrate trees. Selects all Glycan residues if no option is given or the branch going out from the root residue. Selecting from root residues allows you to choose the whole glycan branch or only tips, etc |
| CGlycanSequonsSelector | Find glycosylation sequons in pose @detail Glycosylation sites are typically recognized by enzymes by means of a recognition sequence, or 'motif'. This ResidueSelector selects all residues that can be glycosylated using one of a few sequence motifs that are pre-defined and can be selected. For selecting residues in other motifs, use the ResidueInSequenceMotifSelctor, which takes regular expressions as input |
| CInterGroupInterfaceByVectorSelector | The InterGroupInterfaceByVectorSelector identifies residues at the interface between two groups of residues using two distance cutoffs: the first, shorter cutoff is based on atom-atom distances, the second, longer cutoff is used if the c-alpha/c-beta vector of the residues in the first group point toward the c-alphas of the other group. Each group may be specified either explicitly through a std::set of residue indices, through a string of comma-separated values giving either residue indices or PDB ids (e.g. 13B for residue 13 on chain B) or through a ResidueSelector. Clears the passed ReisueSubset |
| CJumpDownstreamSelector | The JumpDownstreamSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which lie downstream of a given jump in the FoldTree. The jump is specified by an integer index |
| CJumpUpstreamSelector | The JumpUpstreamSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which lie upstream of a given jump in the FoldTree. The jump is specified by its integer index |
| CLayerSelector | The LayerSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which match the given residue index. The index is read as comma-separated list of either Rosetta indices (e.g. 10) or PDB numbers (e.g. 10A, residue 10 of chain A). Detection and mapping from PDB to Rosetta residue numbers is done internally |
| CLogicResidueSelector | A residue selector that takes arbitrarily many residue selectors and performs and/or/not boolean logic within the "residue_selectors" option |
| CLogicResidueSelectorCreator | |
| CNeighborhoodResidueSelector | The NeighborhoodResidueSelector selects residues neighboring a defined set of residues (the focus). The focus residue set can be obtained from another ResidueSelector, from a set of positions. Focus is included in subset by default. Use include_focus_in_subset to change this! |
| CNotResidueSelector | The NotResidueSelector negates the input of one loaded ResidueSelector, i.e., it is a logical NOT - it selects all unselected residues and deselects the selected ones. True becomes false, false becomes true. The ResidueSelector to be negated can be pulled in through RosettaScipt using the selector option, subtags for ResidueSelectors known to the ResidueSelectorFactory or programmatically using set_residue_selector. Note that since most ResidueSelectors clear the input ResidueSubset, NOT can be thought of as simply selecting the opposite of the passed in selector |
| CNumNeighborsSelector | |
| COrResidueSelector | The OrResidueSelector combines the output of multiple ResidueSelectors using OR logic, i.e., residues selected by ANY of the contained ResidueSelectors will be selected. ResidueSelecters can be pulled in from a DataMap, from subtags (for ResidueSelectors known to the ResidueSelectorFactory) or programmatically through add_residue_selector |
| CPhiSelector | A ResidueSelector that selects alpha-amino acids that are either in the positive phi or negative phi region of Ramachandran space (depending on user preferences) |
| CPrimarySequenceNeighborhoodSelector | The PrimarySequenceNeighborhoodSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are located near the given selected residues in primary sequence space |
| CPrimarySequenceNeighborhoodSelectorCreator | |
| CRandomGlycanFoliageSelector | Selects a random carbohydrate residue from a subset or selector, then selects the rest of the glycan foliage. Used for sampling |
| CRandomResidueSelector | The RandomResidueSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for N randomly selected residue positions, where N is a user-specified integer |
| CResidueIndexSelector | The ResidueIndexSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which match the given residue index. The index is read as comma-separated list of either Rosetta indices (e.g. 10) or PDB numbers (e.g. 10A, residue 10 of chain A). It can also take range specifications (e.g. 10A-20A). Detection and mapping from PDB to Rosetta residue numbers is done internally |
| CResidueInMembraneSelector | The ResidueInMembraneSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are either in or out of the membrane. default is in |
| CResidueInSequenceMotifSelector | Select residues by motif search @detail This selector takes a regular expression and a position and then finds all matches of the regular expression and selects the n-th residue in each match, where 'n' is the specified position |
| CResidueNameSelector | The ResidueNameSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which match the given residue index. The index is read as comma-separated list of either Rosetta indices (e.g. 10) or PDB numbers (e.g. 10A, residue 10 of chain A). Detection and mapping from PDB to Rosetta residue numbers is done internally |
| CResiduePDBInfoHasLabelSelector | The ResiduePDBInfoHasLabelSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions with the given label in pose PDB info for that residue |
| CResiduePropertySelector | A residue selector that selects based on set residue properties |
| CResiduePropertySelectorCreator | |
| CResidueRange | Class for storing a range of resids |
| CResidueRanges | |
| CResidueSelector | |
| CResidueSelectorCreator | |
| CAndResidueSelectorCreator | |
| CBinSelectorCreator | |
| CBondedResidueSelectorCreator | |
| CChainSelectorCreator | |
| CDensityFitResidueSelectorCreator | |
| CInterGroupInterfaceByVectorSelectorCreator | |
| CGlycanPositionSelectorCreator | |
| CGlycanResidueSelectorCreator | |
| CGlycanSequonsSelectorCreator | |
| CLayerSelectorCreator | |
| CNotResidueSelectorCreator | |
| CResidueIndexSelectorCreator | |
| CResidueSpanSelectorCreator | |
| CResidueNameSelectorCreator | |
| CResidueInMembraneSelectorCreator | |
| CNeighborhoodResidueSelectorCreator | |
| CNumNeighborsSelectorCreator | |
| COrResidueSelectorCreator | |
| CPhiSelectorCreator | |
| CJumpUpstreamSelectorCreator | |
| CJumpDownstreamSelectorCreator | |
| CSecondaryStructureSelectorCreator | |
| CSSElementSelectorCreator | |
| CTrueResidueSelectorCreator | |
| CFalseResidueSelectorCreator | |
| CResiduePDBInfoHasLabelSelectorCreator | |
| CRandomResidueSelectorCreator | |
| CRandomGlycanFoliageSelectorCreator | |
| CScoreTermValueBasedSelectorCreator | |
| CResidueInSequenceMotifSelectorCreator | |
| CSliceResidueSelectorCreator | |
| CSimpleMetricSelectorCreator | |
| CResidueSelectorFactory | |
| CResidueSelectorRegistrator | This templated class will register an instance of an ResidueSelectorCreator (class T) with the ResidueSelectorFactory. It will ensure that no ResidueSelector creator is registered twice, and centralizes this registration logic so that thread safety issues can be handled in one place |
| CResidueSpanSelector | The ResidueSpanSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are within a given span. A span is defined by start and end point, each as either Rosetta indices (e.g. 10) or PDB numbers (e.g. 10A, residue 10 of chain A). Detection and mapping from PDB to Rosetta residue numbers is done internally. (The span is defined based on Rosetta indicies, even if residues are given by PDB numbers.) |
| CResidueVector | |
| CReturnResidueSubsetSelector | A simple selector that returns the set subset. This is to enable simplification of code-based interfaces to residue selectors, so that one may accept only selectors, but using this selector, we can set subsets |
| CScoreTermValueBasedSelector | |
| CSecondaryStructureSelector | |
| CSelectorLogicParser | Class to traverse the abstract syntax tree produced by the parsing of a properly-formed string in the Arithmetic expression language. Produces a ResidueSelector tree capable of logically joining together already-defined ResidueSelectors |
| CSimpleMetricSelector | The SimpleMetricSelector allows conditional application of a residue selector |
| CSliceResidueSelector | The SliceResidueSelector allows slicing of the returned values of other residue selectors |
| ►CSSElementSelector | The SSElementSelector allows you to select objects based on their secondary structure defintion. Language: "A,B,C" or "A,B", "c_term","n_term","middle" A = numerical position of THAT type of secondary structure. So if the secondary structure was Helix-Sheet-Helix. 2,H would refer to the second helix A could be positive or negative depending if you're counting from the n_term(positive) or c_term negative B = secondary structure type as assigned by DSSP , "H","E","L" C = S=Start, E=End, M=Middle |
| CSSElement | |
| CSymmetricalResidueSelector | The SymmetricalResidueSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are symmetrically generated residues of the input list. (IE Union) |
| CSymmetricalResidueSelectorCreator | |
| CTrueResidueSelector | |
| CVirtualResidueSelector | Residue selector that wraps is_virtual_residue |
| CVirtualResidueSelectorCreator | |
| ►Nutil | |
| CSelectResiduesByLayer | |
| CEnumerate1WithSelector | |
| CPreSelectedResidRange | |
| ►Nsequence | |
| CLine | Struct |
| CABEGO | Abego elments |
| CABEGOManager | Manager for abego |
| CAligner | |
| CAlignerFactory | |
| CAnnotatedSequence | |
| CSimpleSequenceCreator | |
| CSequenceProfileCreator | |
| CSequenceCouplingCreator | |
| CCompositeSequenceCreator | |
| CChemicalShiftSequenceCreator | |
| CCharPairHash | |
| CBlosum62Map | |
| CChemicalShiftScoringScheme | |
| CChemicalShiftSequence | |
| CCompassScoringScheme | |
| CCompositeScoringScheme | |
| CCompositeSequence | |
| CDerivedSequenceMapping | This is quite possibly the laziest form of class naming ever. What does the name of this class tell you about it? It's a SequenceMapping, and it's derived from SequenceMapping. Oops, it said it twice. What is different about this sequence mapping from the parent class? Who knows! When should you use it? Who knows!</snark> |
| CCell | |
| CDP_Matrix | |
| CDPScoringScheme | |
| CL1ScoringScheme | |
| CMatrixScoringScheme | |
| CMCAligner | |
| CNWAligner | |
| CPairScoringScheme | |
| CProfSimScoringScheme | |
| CScoringScheme | |
| CScoringSchemeFactory | |
| CSequence | |
| CSequenceAlignment | |
| CSequenceAlignmentHasher | |
| CSequenceCoupling | |
| CSequenceCreator | Abstract base class for a Mover factory; the Creator class is responsible for creating a particular mover class |
| CSequenceFactory | |
| CSequenceRegistrator | This templated class will register an instance of an SequenceCreator (class T) with the SequenceFactory. It will ensure that no SequenceCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CSequenceProfile | |
| CSimpleScoringScheme | |
| CSSManager | Struct |
| CSWAligner | |
| ►Nsimple_metrics | |
| ►Ncomposite_metrics | |
| CBestMutationsFromProbabilitiesMetric | A metric for calculating the probability delta between the current amino acid and the most likely from a PerResidueProbabilitiesMetric |
| CBestMutationsFromProbabilitiesMetricCreator | |
| CCompositeEnergyMetric | A metric to report/calculate all of the energies of a scorefunction that are not 0 or the delta of each energy between another input pose |
| CElectrostaticComplementarityMetric | |
| CEXCN_InitFailed | Super-simple exception to be thrown when we can't initialize the EC calculator |
| CEXCN_CalcFailed | Super-simple exception to be thrown when the EC calculator fails to compute |
| CElectrostaticSimilarityMetric | |
| CProtocolSettingsMetric | This Metric reports options that have been set in the command line and splits script_vars. Each option name is the type and the setting is the value in the map. This is primarily aimed at benchmarking and record-keeping for large-scale rosetta runs or experiments. It works with both the global and local OptionsCollection to enable its use in JD3. It is analogous to the ProtocolFeatures reporter, with more options for xml-based variables |
| CCompositeEnergyMetricCreator | |
| CElectrostaticComplementarityMetricCreator | |
| CElectrostaticSimilarityMetricCreator | |
| CProtocolSettingsMetricCreator | |
| ►Nmetrics | |
| CAverageProbabilitiesMetric | A metric for averaging multiple PerResidueProbabilitiesMetrics |
| CAverageProbabilitiesMetricCreator | |
| CCalculatorMetric | A metric which can combine other metrics |
| CCalculatorMetricCreator | |
| CCustomRealValueMetric | A simple metric that allows an arbitrary, user- or developer-set floating-point value to be cached in a pose |
| CCustomRealValueMetricCreator | |
| CCustomStringValueMetric | A simple metric that allows an arbitrary, user- or developer-set string to be cached in a pose |
| CCustomStringValueMetricCreator | |
| CDihedralDistanceMetric | A metric to calculate the dihedral distance between two poses. Can set a subset of residues to calculate via ResidueSelector |
| CInteractionEnergyMetric | Calculate the interaction energy between residues in two ResidueSelectors in a single pose, including long-range interactions. Pose should be scored! |
| CResidueSummaryMetric | A SimpleMetric that takes a PerResidueRealMetric and calculates different summaries of the overall data |
| CRMSDMetric | A metric to calculate the RMSD between two poses. Please note that by default it doesn't align poses. You need to set set_run_superimpose() to True for performing alignment. You Can set a subset of residues to calculate via ResidueSelector |
| CSasaMetric | A Metric to cacluate overall sasa of a pose |
| CSecondaryStructureMetric | A SimpleMetric to output the secondary structure of the protein or residues selected by a residue selector. Uses DSSP |
| CSelectedResidueCountMetric | A SimpleMetric that counts the number of residues in a residue selection |
| CSelectedResiduesMetric | Output residue-selected residues to a score file as rosetta resnums or pdbnums |
| CSelectedResiduesPyMOLMetric | A utility metric to output a string of selected residues from a residue selector as a pymol selection |
| CSequenceMetric | A SimpleMetric to output the single-letter OR three-letter sequence of a protein or subset of positions/regions using a ResidueSelector |
| CSequenceSimilarityMetric | Compares the sequences of the native structure (using native flag) to the sequence of a given pose using BLOSUM 62 |
| CShapeSimilarityMetric | |
| CEXCN_InitFailed | Super-simple exception to be thrown when we can't initialize the SS calculator |
| CEXCN_CalcFailed | Super-simple exception to be thrown when the SS calculator fails to compute |
| CTimingProfileMetric | Calculate the time difference between construction and apply/calculate. Useful to time protocols in RosettaScripts or through mover containers |
| CTotalEnergyMetric | A metric to report the total energy of the system or the delta total energy between another input pose |
| CDihedralDistanceMetricCreator | |
| CInteractionEnergyMetricCreator | |
| CResidueSummaryMetricCreator | |
| CRMSDMetricCreator | |
| CSasaMetricCreator | |
| CSecondaryStructureMetricCreator | |
| CSelectedResidueCountMetricCreator | |
| CSelectedResiduesMetricCreator | |
| CSelectedResiduesPyMOLMetricCreator | |
| CSequenceMetricCreator | |
| CSequenceSimilarityMetricCreator | |
| CTimingProfileMetricCreator | |
| CTotalEnergyMetricCreator | |
| CShapeSimilarityMetricCreator | |
| ►Nper_residue_metrics | |
| CCurrentProbabilityMetric | A metric for calculating the probability delta between the current amino acid and the most likely from a PerResidueProbabilitiesMetric |
| CCurrentProbabilityMetricCreator | |
| CHbondMetric | A metric to report the total h-bonds residues from a selection to all [OTHER] residues, or from a set of residues to another set of residues. If No selection is given, will report ALL vs ALL |
| CLoadedProbabilitiesMetric | A class to load a probabilities weights file into a PerResidueProbabilitiesMetric |
| CLoadedProbabilitiesMetricCreator | |
| CPerResidueBfactorMetric | Making a b factor per residue simple metric |
| CPerResidueBfactorMetricCreator | |
| CPerResidueClashMetric | A SimpleMetric that calculates the total number of atom-atom clashes from a residue in a residue selector to all other residues defined in a second residue selector using the LJ radius of each atom |
| CPerResidueDensityFitMetric | A per-residue metric that will calculate the density fit for each residue using either a correlation or a zscore |
| CPerResidueEnergyMetric | A per-residue metric that will calculate/output per residue total energies or a specific score component. WEIGHTED. Correctly decomposes energies to per-residue |
| CPerResidueGlycanLayerMetric | A metric that outputs the layer of the glycan tree as measured by the residue distance to the root |
| CPerResidueRMSDMetric | A per-residue metric thtat will calculate the RMSD for each residue given in a residue selector to a reference pose |
| CPerResidueSasaMetric | A per-residue metric that will calculate SASA for each residue given in a selector |
| CProbabilityConservationMetric | A metric for calculating the conservation of a position given some predicted probabilities (using the relative Shannon Entropy) |
| CProbabilityConservationMetricCreator | |
| CSidechainNeighborCountMetric | A metric for calculating each sidechains neighbors based on cones. This metric uses the same core code as the LayerSelector. It can be combined with the SimpleMetricSelector to select any set of residues based on burial |
| CSidechainNeighborCountMetricCreator | |
| CWaterMediatedHbondMetric | A metric to measure hydrogen bonds between a set of residues that are water-mediated |
| CWaterMediatedHbondMetricCreator | |
| CHbondMetricCreator | |
| CPerResidueClashMetricCreator | |
| CPerResidueEnergyMetricCreator | |
| CPerResidueGlycanLayerMetricCreator | |
| CPerResidueSasaMetricCreator | |
| CPerResidueRMSDMetricCreator | |
| CPerResidueDensityFitMetricCreator | |
| CCompositeRealMetric | A class that is derived to calculate a set of core::Real values. Apply(pose) method calculates this metric and adds it to the pose score for output |
| CCompositeStringMetric | A class that is derived to calculate a set of string values. Apply(pose) method calculates this metric and adds it to the pose score for output |
| CPerResidueProbabilitiesMetric | A class that is derived to calculate probabilities for different residue types for each Residue. Apply(pose) method calculates this metric and adds it to the pose score for output |
| CPerResidueRealMetric | A class that is derived to calculate a set of core::Real values for each Residue. Apply(pose) method calculates this metric and adds it to the pose score for output |
| CPerResidueStringMetric | A class that is derived to calculate a set of string values. Apply(pose) method calculates this metric and adds it to the pose score for output |
| CRealMetric | A class that is derived to calculate a Real (float) value |
| CSimpleMetric | The base class for Metrics in the Metric/Filter/Reporter system |
| CSimpleMetricCreator | |
| CMetricKey | The key needed to set data in our SimpleMetricData. This allows only SimpleMetrics to set data |
| CSimpleMetricData | A container class for all Simple Metrics stored in the pose |
| CSimpleMetricFactory | |
| CSimpleMetricRegistrator | This templated class will register an instance of an SimpleMetricCreator (class T) with the SimpleMetricFactory. It will ensure that no SimpleMetric creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CSimpleMetricStruct | Structure for all SimpleMetric Data. Used for mmTF IO and multistage protocols |
| CStringMetric | A class that is derived to calculate a string value |
| CTestStringMetric | Create subclasses for each type of metric |
| CTestRealMetric | |
| CTestCompositeStringMetric | |
| CTestCompositeRealMetric | |
| CTestPerResidueRealMetric | |
| CTestPerResidueProbabilitiesMetric | |
| CTestPerResidueStringMetric | |
| CTestStringMetricCreator | |
| CTestRealMetricCreator | |
| CTestCompositeStringMetricCreator | |
| CTestCompositeRealMetricCreator | |
| CTestPerResidueRealMetricCreator | |
| CTestPerResidueProbabilitiesMetricCreator | |
| CTestPerResidueStringMetricCreator | |
| ►Nutil | |
| CChainbreakUtil | |
| ►Nprotocols | The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP |
| ►Naa_composition | |
| CAddCompositionConstraintMover | |
| CAddCompositionConstraintMoverCreator | |
| CAddHelixSequenceConstraintsMover | This mover adds sequence constraints to the ends of each helix, requiring at least one positively-charged residue in the three C-terminal residues, and at least one negatively-charged resiude in the three N-terminal residues |
| CAddHelixSequenceConstraintsMoverCreator | |
| CAddMHCEpitopeConstraintMover | |
| CAddMHCEpitopeConstraintMoverCreator | |
| CAddNetChargeConstraintMover | |
| CAddNetChargeConstraintMoverCreator | |
| CClearCompositionConstraintsMover | |
| CClearCompositionConstraintsMoverCreator | |
| ►Nabinitio | |
| ►Nabscript | |
| CAbscriptLoopCloserCM | |
| CAbscriptLoopCloserCMCreator | |
| ►CAbscriptMover | |
| CStageTracker | |
| CAbscriptMoverCreator | |
| CAbscriptStageMover | |
| CConstraintPreparer | |
| CConstraintPreparerCreator | |
| CFragmentCM | |
| CFragmentCMCreator | |
| CFragmentJumpCM | |
| CFragmentJumpCMCreator | |
| CJumpSampleData | |
| CJumpSampleDataCreator | |
| CResidueChunkSelection | |
| CAtomPack | |
| CRigidChunkCM | |
| CRigidChunkCMCreator | |
| CStagePreparer | |
| CStructPerturberCM | |
| CStructPerturberCMCreator | |
| CPcaEvaluator | |
| CShowViolation | |
| CComputeTotalDistCst | |
| CStage1Sampler | |
| CAbrelaxApplication | Application level code for Abrelax, Foldconstraints and JumpingFoldconstraints WARNING WARNING WARNING. THREAD UNSAFE. INVOKES ConstraintFactory::replace_creator. CODE THAT ABUSES SINGLETONS LIKE THIS OUGHT TO BE SHOT |
| CAbrelaxMover | |
| CAllResiduesChanged | (helper) functor class which keeps track of initial phi/psi values. @detail calls of operator ( pose ) compare the initial phi/psi values |
| ChConvergenceCheck | |
| CClassicAbinitio | |
| CConstraintFragmentSampler | |
| CDomainAssembly | Insert fragments in a linker region. Very similar to what's in looprelax_main |
| CDomainAssemblyCreator | |
| CDoubleLayerKinematicAbinitio | |
| CFoldConstraints | Extension of ClassicAbinitio Protocol to adapt the folding process for the presence of distance constraints @detail Main Function: switch distance constraints based on distance in the FoldTree ( i.e., in sequence for simple FoldTrees ) This is achieved by replacing the pose's ConstraintSet with the special purpose class MaxSeqSepConstraintSet the latter class will only score constraints that are sufficiently close in FoldTree/Sequence ( as controlled by the threshold with set_max_seq_sep() ) the protocol ranks up the max_seq_sep parameter while folding proceeds through the stages. to this extend it overloads methods prepare_stageX() do_stage1_cycles() |
| CFragmentSampler | |
| CHedgeArchive | |
| CIterativeAbrelax | |
| CIterativeBase | |
| COrderSortPredicate | |
| CIterativeCentroid | |
| CIterativeFullatom | |
| CKinematicAbinitio | |
| CJumpingFoldConstraintsWrapper | |
| CKinematicControl | |
| CCoordinateConstraintKC | |
| CKinematicTaskControl | |
| CLoopJumpFoldCst | |
| CMembraneAbinitio | |
| CPairingStatEntry | |
| C_MergableEntries | |
| C_HashEntry | |
| CPairingStatistics | |
| CProtocol | |
| CResolutionSwitcher | |
| CAlternativePairings | |
| CStrandConstraints | |
| CTemplate | |
| CTemplateJumpSetup | |
| CFixTemplateJumpSetup | |
| CStructureStore | |
| CTemplates | |
| ►Nanalysis | |
| ►Nburial_metrics | |
| CPolarGroupBurialPyMolStringMetric | A string metric that generates a string of PyMol commands to colour a structure's polar groups based on burial |
| CPolarGroupBurialPyMolStringMetricCreator | |
| ►Nsimple_metrics | |
| CConstraintsMetric | A simple metric that writes out all the constraints in a pose or sub-region of a pose, in a format matching the (non-enzdes) constraints file format |
| CConstraintsMetricCreator | |
| CRunSimpleMetricsMover | Run the set of SimpleMetrics. Add the data to the pose, which will be output int the score file. with the given prefix and suffix. (prefix+metric_name+suffix) |
| CRunSimpleMetricsMoverCreator | |
| CSequenceRecoveryMetric | Calculate sequence recovery statistics on a protein, relative to a reference |
| CSequenceRecoveryMetricCreator | |
| CGlycanInfoMover | Simple class for outputting glycan information. Currently, it simply prints the information |
| CGlycanInfoMoverCreator | |
| CPerResidueInterfaceData | All per residue interface data and residue averages. Interface Residues only |
| CInterfaceData | All interface data. Unless otherwise specified, they refer specifically to the interface |
| CInterfaceAnalyzerMover | Class for analyzing interfaces of a pose. Many metrics are calculated and accessible after the apply method |
| CInterfaceAnalyzerMoverCreator | |
| CLoopAnalyzerMover | |
| CLoopAnalyzerMoverCreator | |
| CPackStatMover | |
| ►Nanchored_design | |
| CAnchor | Anchor class provides for the "anchor" part of a scaffold in anchored interface design |
| CAnchoredDesignMover | |
| CAnchoredPerturbMover | |
| CAnchoredRefineMover | |
| CAnchorMoversData | This data class wraps all the data needed for the AnchoredDesign movers |
| ►Nantibody | |
| ►Nclusters | |
| CCDRCluster | Simple class to hold and access CDRCluster info for a region of the pose |
| CCDRClusterEnumManager | Interface to this class is in AntibodyInfo. Should be a singleton |
| CCDRClusterFeatures | |
| CCDRClusterFeaturesCreator | |
| CClusterData | Holds data for each cluster type |
| CCDRClusterMatcher | Simple class for identifying CDR clusters of an antibody or protein structure |
| CCDRClusterSet | Class that can determine a CDR Cluster, hold that information, and give it out when asked |
| CBasicCDRClusterSet | Basic container class for CDRClusterSet, with some extra information |
| ►Nconstraints | |
| CCDRDihedralConstraintMover | Add Cluster or General Dihedral CircularHarmonic constraints to a CDR. Cluster constraints currently only work for AHO renumbered CDRs. (This will be rafactored to create constraints on-the-fly from cluster Mean/SD instead of from cst files.) |
| CCDRDihedralConstraintMoverCreator | |
| CParatopeEpitopeSiteConstraintMover | Add SiteConstraints from the Epitope to the Paratope and from the Paratope to the Epitope. Will only add the constraint if not already present |
| CParatopeEpitopeSiteConstraintMoverCreator | |
| CParatopeSiteConstraintMover | Adds and removes ambiguous site constraints for the Antibody Paratope to antigen, defined for simplicity as the CDRs, however a set of paratope residues can be given to the class to use instead |
| CParatopeSiteConstraintMoverCreator | |
| ►Ndesign | |
| CAntibodyDesignEnumManager | |
| CAntibodyDesignMover | This class designs antibodies by grafting, using cluster information and constraints to help. It represents the first step in The Rosetta Antibody Designer, but can be used outside of the application. A 2011 Antibody Database is included in the rosetta datase. Up-to-date versions can be downloaded from |
| CAntibodyDesignMoverCreator | |
| CAntibodySeqDesignTFCreator | Create a TaskFactory or individual TaskOperations based on a set of options These options are mainly for per-CDR and per-framework control of sequence design |
| CCDRGraftDesignOptions | Class that holds CDRGraftDesign Options. Now that GraftDesign is not a separate 'thing', this should be split into CDRGraftOptions and CDRMinOptions eventually |
| CCDRGraftDesignOptionsParser | |
| CCDRSeqDesignOptions | |
| CCDRSeqDesignOptionsParser | |
| CGeneralAntibodyModeler | Basic Class that can run modeling for various protocols. Does not do any design. Setup design TF via AntibodySeqDesignTFCreator |
| CMutantPosition | |
| CMutateFrameworkForCluster | Mutates framework positions to what is needed for a particular cluster if that cluster has needed mutations |
| CMutateFrameworkForClusterCreator | |
| CNativeAntibodySeq | Class that keeps track of the 'native' sequence during design. Native means that no design has occured. Used for conservative base design to keep it from hopping around residue types |
| CResnumFromStringsWithRangesSelector | A selector which uses the protocols::antibody::design::get_resnums_from_strings_with_ranges() approach |
| CPDBNumbering | Super-basic numbering struct |
| ►Ngrafting | |
| CGrafting_Base_Exception | |
| C_AE_grafting_failed_ | |
| C_AE_cdr_detection_failed_ | |
| C_AE_json_cdr_detection_failed_ | |
| C_AE_cdr_undefined_ | |
| C_AE_invalid_cdr_region_ | |
| C_AE_numbering_failed_ | |
| C_AE_unexpected_region_length_ | |
| C_AE_scs_failed_ | |
| ►Nresidue_selector | |
| CAntibodyRegionSelector | A simple selector to select residues of particular antibody regions |
| CAntibodyRegionSelectorCreator | |
| CCDRResidueSelector | Select CDR residues |
| CCDRResidueSelectorCreator | |
| ►Nsnugdock | |
| CSnugDock | MoveSet step of Snugdock as described in: |
| CSnugDockCreator | |
| CSnugDockProtocol | |
| ►Ntask_operations | |
| CAddCDRProfileSetsOperation | Add Cluster-based sets of mutations as a TaskOperation. Essentially samples full sequences of CDRs within a particular CDR cluster randomly each time the packer is called. Does this for each CDR |
| CAddCDRProfileSetsOperationCreator | |
| CAddCDRProfilesOperation | Add Cluster-based CDR Profiles as the task operation for the set of CDRs by default. See protocols/task_operations/ResidueProbTaskOperation for more |
| CAddCDRProfilesOperationCreator | |
| CDisableAntibodyRegionOperation | A TaskOperation that Disables packing +/or design of a particular antibody region. By Default, disables packing and design of the cdr_region. Make sure to set the region you want disabled |
| CDisableAntibodyRegionOperationCreator | |
| CDisableCDRsOperation | TaskOperation to Disable Packing and/or design of a set of CDRs. By default, disables both Packing and Design of all CDRs |
| CDisableCDRsOperationCreator | |
| CRestrictToCDRsAndNeighbors | Task Operation to restrict packing/design to specific CDRs and neighbors. See DisableAntibodyRegionOperation and DisableCDRsOperation further restrict TaskFactory |
| CRestrictToCDRsAndNeighborsCreator | |
| CAb_TemplateInfo | Specifically for AntibodyModeling protocol templates. Not for general use |
| CAntibodyCDRGrafter | Class to graft CDR loops from an antibody to a new antibody or from a CDR pose into a different antibody. Independant of antibody and CDR modeling. Results in 100 percent loop closure if using both graft algorithms |
| CAntibodyCDRGrafterCreator | |
| CAntibodyEnumManager | Interface to this class is in AntibodyInfo |
| CAntibodyFeatures | Collects data on an antibody including CDRs, interfaces of L_H, L_A, H_A, and LH_A (this can be set), and other metrics |
| CAntibodyFeaturesCreator | Creator for the HBondParameterFeatures class |
| CFrameWork | |
| CAntibodyInfo | This class is used to get all relevant information you would need when dealing with an antibody |
| CAntibodyModelerProtocol | |
| CAntibodyNumberingConverterMover | Converts numbering schemes of an antibody, independant of AntibodyInfo. By default, works on a SINGLE antibody FAB with chains L and H, as in the rest of Rosetta |
| CAntibodyNumberingConverterMoverCreator | |
| CAntibodyNumbering | |
| CAntibodyNumberingParser | Class responsible for reading database Numbering Scheme definitions and their transforms from the database |
| CPDBLandmark | Class that was once a struct; Used for matching pdb information between numbering schemes and cdr definitions |
| CCDRsMinPackMin | |
| CCloseOneCDRLoop | Closes only one CDR onto a framework |
| CCDRDBPose | |
| CCDRDBSequence | |
| CAntibodyDatabaseManager | Class responsible for loading information from the AntibodyDatabase |
| CCDRSetOptions | Class that holds instructions for a single CDR for loading from the antibody database. Default is instructions to load all CDRs from the database |
| CCDRSetOptionsParser | Parses CDRSetOptions for a single CDR at a time from a simple instruction file |
| CGraftCDRLoopsProtocol | |
| CGraftedStemOptimizer | Grafts only one CDR onto a framework |
| CGraftOneCDRLoop | Grafts only one CDR onto a framework |
| CH3CterInsert | H3 CDR, Fragment Insertion and CCD |
| CH3PerturbCCD | |
| CH3RefineCCD | |
| CLHRepulsiveRamp | |
| CParatopeMetric | Convenience struct for passing around paratope data, including individual data for cdrs. CDRs not present default to 0. Templates are used mainly to have core::Size/ Real or string values |
| CRefineBetaBarrel | |
| CLHRepulsiveRampLegacy | |
| CLHSnugFitLegacy | |
| ►Nantibody_legacy | |
| CAntibody | Antibody definition |
| CAntibodyModeler | |
| CCDRH3Modeler | Ab initio modeling of CDR H3 loop |
| CGraftMover | Grafts a series of CDR onto a framework |
| CGraftOneMover | Grafts only one CDR onto a framework |
| CCloseOneMover | Closes only one CDR onto a framework |
| CLoopRlxMover | Closes only one CDR onto a framework |
| ►Nbackbone_moves | |
| ►Nlocal_backbone_mover | |
| ►Nfree_peptide_movers | |
| CCircularPermuteFreePeptideMover | Circularly permute the torsions on the free peptide |
| CFreePeptideMover | Base class for free peptide movers |
| CLongAxisRotationFreePeptideMover | Rotate the free peptide along the axis formed by its first and last CA atom |
| CShearFreePeptideMover | Change the psi torsion of a residue and phi torsion of its subsequent residue by a opposite value |
| CTranslationFreePeptideMover | Translate the free peptide by a cartesian vector |
| ►Ngap_solution_pickers | |
| CGapSolutionPicker | Base class for picking solution for a gap |
| CRandomGapSolutionPicker | Pick a solution randomly |
| CResidue | Residue is a helper class for FreePeptide |
| CFreePeptide | FreePeptide represents a free peptide |
| CGapCloser | GapCloser closes the gaps after moving the free peptide |
| CLocalBackboneMover | LocalBackboneMover moves a stretch of backbone locally |
| CLocalBackboneMoverCreator | |
| CRandomizeBBByRamaPrePro | A simple mover to randomize a backbone, or a portion of a backbone, biased by the rama_prepro score of each residue |
| CRandomizeBBByRamaPreProCreator | |
| ►Nbackrub | |
| CBackrubMover | Class for applying backrub moves to arbitrary protein segments |
| CBackrubMoverCreator | |
| CBackrubProtocol | |
| CBackrubProtocolCreator | |
| CBackrubSegment | Class for holind information about individual backrub segments |
| CBackrubSidechainMover | |
| CBackrubSidechainMoverCreator | |
| ►Nboinc | |
| CBoinc | |
| CBoincSharedMemory | |
| CBoincCurrentPoseObserver | |
| ►Nbranch_angle | |
| CBranchAngleOptimizer | |
| CBranchCoef1 | Class to store coefficients for branching angle optimization around a single atom atom with three bonded neighbors |
| CBranchCoef2 | Class to store coefficients for branching angle optimization around a single atom atom with three bonded neighbors |
| CBranchParam1 | Class to store bond angle energy parameters around a single atom atom with three bonded neighbors |
| CBranchParam2 | Class to store bond angle energy parameters around a single atom atom with four bonded neighbors |
| ►Nbuns | |
| CBuriedUnsatHbondFilter2 | Filters based on an upper bound # of buried unsatisfied polar residues |
| CBuriedUnsatHbondFilter2Creator | |
| CBuriedUnsatisfiedPolarsCalculator2 | |
| ►Ncalc_taskop_filters | |
| CConservedPosMutationFilter | |
| CConservedPosMutationFilterCreator | |
| CMultipleSigmoids | Simply takes a list of pdbs and creates relative pose then extract sigmoids and call operator (product) |
| CMultipleSigmoidsFilterCreator | |
| COperator | Simply take a list of filters and combine them using the operation above |
| COperatorFilterCreator | |
| CRelativePoseFilter | |
| CRelativePoseFilterCreator | |
| CRotamerBoltzmannWeight | |
| CIdManager | |
| CRotamerBoltzmannWeight2 | Next-generation RotamerBoltzmannWeight filter |
| CRotamerBoltzmannWeight2Creator | |
| CRotamerBoltzmannWeightFilterCreator | |
| CSigmoid | Transform the output from a regular filter into a sigmoid ranging from 0-1 according to: fx = 1/[1 + exp[ ( x - offset ) * steepness ] The function asymptotically reaches 1 at negative values and 0 at positive values. It's 0.5 at the offset and steepness determines its slope at the offset |
| CSigmoidFilterCreator | |
| ►Ncalc_taskop_movers | |
| CConsensusDesignMover | This mover will modify a given task according to a sequence profile and then call the PackRotamersMover. At every position that is designable in the task, AAs that have a probability > min_aa_probability_ and higher than the native in the sequence profile will be allowed |
| CConsensusDesignMoverCreator | |
| CCreateSequenceMotifMover | Simple mover to Create a sequence motif in a region of protein using the SequenceMotifTaskOperation. Uses psueo-regular expressions to define the motif |
| CCreateSequenceMotifMoverCreator | |
| CDesignRepackMover | Pure virtual base class for movers which redesign and repack the interface |
| CForceDisulfidesMover | Simple mover that fixes disulfides according to a defined list and then simultaneously repacks within 6A shells around each affected cystein residue |
| CForceDisulfidesMoverCreator | |
| ►Ncanonical_sampling | Algorithms for rigorously sampling native state ensembles. See disclaimer in detailed description |
| ►Nmc_convergence_checks | |
| CEXCN_Heat_Converged | |
| CHeat_ConvergenceCheck | |
| CPoolData | |
| CHierarchicalLevel | |
| CHPool_RMSD | |
| CEXCN_Pool_Converged | |
| CPool_RMSD | |
| CPool_ConvergenceCheck | |
| CPool_Evaluator | |
| CDataBuffer | |
| ►CAsyncMPITemperingBase | |
| CExchangeRequest | |
| CBiasedMonteCarlo | |
| ►CBiasEnergy | |
| CHistogram | |
| CCanonicalSamplingMover | |
| ►CDbTrajectoryRecorder | Record a trajectory to an SQL database |
| CFrame | Helper struct used store cached poses |
| CDbTrajectoryRecorderCreator | RosettaScripts factory for DbTrajectoryRecorder |
| CPatchOperation | |
| CHamiltonianExchange | |
| CHamiltonianExchangeCreator | RosettaScripts factory for HamiltonianExchange |
| CTorsionSpec | A simple class to hold info about torsions to use (deferred parsing) |
| CMetricRecorder | Periodically output miscellaneous information |
| CMetricRecorderCreator | RosettaScripts factory for MetricRecorder |
| CMetropolisHastingsMover | Manage the main loop of a canonical Monte Carlo simulation |
| CMetropolisHastingsMoverCreator | RosettaScripts factory for MetropolisHastingsMover |
| CMultiTemperatureTrialCounter | Keep track of trial statistics for any number of replicas |
| CParallelTempering | |
| CParallelTemperingCreator | RosettaScripts factory for ParallelTempering |
| CPDBTrajectoryRecorder | Record a trajectory to the PDB file format |
| CPDBTrajectoryRecorderCreator | RosettaScripts factory for PDBTrajectoryRecorder |
| CProgressBarObserver | Print an progress bar that updated on each iteration |
| CProgressBarObserverCreator | RosettaScripts factory for ProgressBarObserver |
| CSidechainMetropolisHastingsMover | Run a sidechain-only canonical Monte Carlo simulation |
| CSidechainMetropolisHastingsMoverCreator | RosettaScripts factory for SidechainMetropolisHastingsMover |
| CSilentTrajectoryRecorder | Record a trajectory to the rosetta-specific silent file format |
| CSilentTrajectoryRecorderCreator | RosettaScripts factory for SilentTrajectoryRecorder |
| CSimulatedTempering | |
| CSimulatedTemperingCreator | RosettaScripts factory for SimulatedTempering |
| CTemperatureController | Base class for controlling the temperature of a simulation |
| CFixedTemperatureController | Maintain a constant temperature |
| CTemperingBase | Base class for tempering Monte Carlo optimizations |
| CThermodynamicMover | Base class for moves that can obey detailed balance |
| CThermodynamicObserver | Base class for reporting and recording data from a simulation |
| CTrajectoryRecorder | Base class for recording a simulation trajectory |
| CTrialCounterObserver | Record the acceptance rate for every type of move attempted |
| CTrialCounterObserverCreator | RosettaScripts factory for TrialCounterObserver |
| CWTEBiasEnergy | |
| ►Ncarbohydrates | |
| CCreateGlycanSequonMover | Mutates residues to create a potential glycosylation site using known sequence motifs of N- or C- linked glycans. Includes options for Enhanced Sequons for N-linked glycans that have been shown to have higher rates of glycosylation as well as other positions that have been shown to influence the glycosylation chemistry |
| CCreateGlycanSequonMoverCreator | |
| CGlycanSampler | Main mover for Glycan Relax, which optimizes glycans in a pose. Each round optimizes either one residue for BB sampling, linkage, or multiple for minimization. Currently uses a random sampler with a set of weights to each mover for sampling |
| CGlycanSamplerCreator | |
| CGlycanTreeMinMover | A class that selects the downstream branch from residues in a movemap/selector, and minimizes those residues if on in the primary glycan movemap. Multiple Applies randomly select a different residue in the movemap/selector |
| CGlycanTreeMinMoverCreator | |
| CGlycanTreeModeler | A protocol for optimizing glycan trees using the GlycanSampler from the base of the tree out to the leaves |
| CGlycanTreeModelerCreator | |
| CIdealizeAnomericHydrogens | This code sets all the anomeric hydrogen positions based on the input structure |
| CIdealizeAnomericHydrogensCreator | |
| CLinkageConformerMover | This code changes all of the dihedrals of a particular glycosidic linkage based on database info, esentially sampling carbohydrate dihedral conformers of two residues. Randomly samples on any set selector at each apply or (default) samples a linkage conformer for each residue set |
| CLinkageConformerMoverCreator | |
| CRingPlaneFlipMover | A Mover class for flipping the plane of a carbohydrate pyranose ring 180 degrees about its anomeric bond |
| CRingPlaneFlipMoverCreator | MoverCreator allowing the MoverFactory to create a RingConformationMover |
| CSimpleGlycosylateMover | A mover for glycosylation of biological glycosylations. Currently glysolylation is done based on string, not from PDB. Use the GlycanSampler to model the resulting glycosylation! |
| CSimpleGlycosylateMoverCreator | |
| CTautomerizeAnomerMover | A Mover class for tautomerizing from one anomer to another at a reducing end |
| CTautomerizeAnomerMoverCreator | MoverCreator allowing the MoverFactory to create a TautomerizeAnomerMover |
| ►Ncartesian | |
| CCartesianAtom | |
| CMD_Bond | |
| CMD_Angle | |
| CMD_HarmonicDihedral | |
| CMolecularDynamics | |
| ►Ncheckpoint | |
| CTimer | : singleton checkpoint timer class |
| CFileBuffer | |
| CCheckPointer | |
| ►Nchemically_conjugated_docking | |
| CUBQ_GTPaseMover | A mover typically used for binding ubiquitin to a substrate protein |
| CUBQ_GTPaseMoverCreator | |
| ►Nchemistries | |
| CChemistry | |
| CChemistryCreator | |
| CReprotonateCreator | |
| CChemistryFactory | |
| CChemistryLoader | A class for loading arbitrary data into the XML chemistries's basic::datacache::DataMap |
| CChemistryLoaderCreator | |
| CChemistryRegistrator | This templated class will register an instance of an ChemistryCreator (class T) with the ChemistryFactory. It will ensure that no ChemistryCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CPatchChemistry | |
| CPatchChemistryCreator | |
| CWrappedBaseChemistry | |
| CReprotonateChemistry | |
| ►Nchromophore | |
| CChromophoreDataReader | |
| CReadResidueCoordinatesFromPDB | Re-reading residue's coordinates from a PDB file |
| ►Ncluster | |
| ►Ncalibur | |
| CAdjacentList | |
| CStru | |
| CClustering | |
| CPreloadedPDB | |
| CSimPDB | |
| CExemplar | Data structure for one similarity measurement (s_ik) for affinity propagation clustering |
| CDataPoint | Data structure for one input data point for affinity propagation clustering |
| CAPCluster | Public interface for doing affinity propagation clustering |
| CGatherPosesMover | |
| CEnsembleConstraints | |
| CEnsembleConstraints_Simple | |
| CCluster | |
| CClusterBase | |
| CClusterPhilStyle | |
| CClusterPhilStyle_Loop | |
| CClusterPhilStyle_PoseReporter | |
| CAssignToClustersMover | |
| ►Ncomparative_modeling | |
| ►Nfeatures | |
| CResidueFeature | |
| CResidueFeatureFactory | |
| CSSFeature | |
| CTorsionFeature | |
| CAlign_RmsdEvaluator | |
| CAlign_RotamerEvaluator | |
| CAlignmentCluster | |
| CAlignmentClustering | |
| CAlignmentSet | |
| CAlignRmsdTargetEvaluatorCreator | Creator for the AlignRmsdTargetEvaluatorCreator class |
| CExtraThreadingMover | |
| CGenericJobInputter | |
| CGenericJobInputterCreator | |
| CIgnoreSubsetConstraintSet | |
| CLoopRelaxThreadingMover | |
| CMultiThreadingMover | |
| CPartialThreadingMover | |
| CRecoverSideChainsMover | |
| CStealLigandMover | |
| CStealSideChainsMover | |
| CThreadingJob | |
| CThreadingJobInputter | |
| CThreadingJobInputterCreator | |
| CThreadingMover | |
| ►Nconstel | |
| CChainTerm | |
| CExcludedFilter | |
| CFilterByProxTerm | |
| CFilterBySASA | |
| CMasterFilter | |
| CNeighTeller | |
| CFilterByIndoleCOO | Class to filter out constellations that cannot (putatively) be rescued by compounds containing indole and a carboxylic group |
| CFilterByTryptamine | Class to filter out constellations that cannot (putatively) be rescued by tryptamine |
| CFilterByAmphetamine | Class to filter out constellations that cannot (putatively) be rescued by amphetamine |
| CFilterByHistamine | Class to filter out constellations that cannot (putatively) be rescued by histamine |
| CResMut | A class to represent the mutation of a residue |
| CHBondCommon | A class to hold data structures and functions shared by filters that consider hydrogen bonding |
| COrientCommon | A class to hold data structures and functions common to filters that consider how groups of atoms within a constellation are oriented |
| CPresenceCommon | A class to hold data structures and functions shared by filters that check whether the amino acids and atoms they require in the constellation are indeed present |
| CResidueMask | |
| CSingResCnlCrea | |
| ►Nconstraint_filters | |
| CConstraintScoreCutoffFilter | |
| CConstraintScoreCutoffFilterCreator | |
| CConstraintScoreFilter | Filter that computes scores of constraints generated by ConstraintGenerators |
| CConstraintScoreFilterCreator | |
| CSavePoseConstraintToFileFilter | Detects atomic contacts between two atoms of two residues |
| CSavePoseConstraintToFileFilterCreator | |
| CShowConstraintsFilter | |
| CShowConstraintsFilterCreator | |
| ►Nconstraint_generator | |
| CAddConstraints | Adds constraints generated by ConstraintGenerators to a pose |
| CAddConstraintsCreator | |
| ►CAtomPairConstraintGenerator | Generates atom pair constraints for a set of residues from the current or reference pose |
| CMappedAtom | |
| CAtomPairConstraintGeneratorCreator | |
| CConstraintGenerator | Pure virtual base class |
| CConstraintGeneratorCreator | |
| CConstraintGeneratorFactory | |
| CConstraintGeneratorRegistrator | This templated class will register an instance of an ConstraintGeneratorCreator (class T) with the ConstraintGeneratorFactory. It will ensure that no ConstraintGenerator creator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CConstraintsManager | Manages lists of constraints generated by ConstraintGenerators |
| CConstraintsMap | Cacheable data map to cache constraint pointers in the pose |
| CCoordinateConstraintGenerator | Generates coodinate constraints |
| CCoordinateConstraintGeneratorCreator | |
| CDihedralConstraintGenerator | A cst generator that creates Dihedral constraints for specified residues using a residue selector |
| CDihedralConstraintGeneratorCreator | |
| CDistanceConstraintGenerator | Generates AtomPair constraints to enforce a given distance between two residue subsets |
| CDistanceConstraintGeneratorCreator | |
| CHydrogenBondingAtom | |
| CHydrogenBondInfo | Database to lookup atoms for hydrogen bonding |
| CHydrogenBondConstraintGenerator | This constraint generator generates constraints for favoring formation of hydrogen bonds |
| CHydrogenBondConstraintGeneratorCreator | |
| CMembraneSpanConstraintGenerator | Generates constraints for membrane spans to stay in the membrane |
| CMembraneSpanConstraintGeneratorCreator | |
| CMetalContactsConstraintGenerator | This constraint generator takes residue selectors for a residue containing metal ion(s) and for residue(s) for which to set up contacts. It allows users to specify which base atoms will be used to define angles/dihedrals to constrain; ideal values for angles/dihedrals/distances; and an option to constrain to native values |
| CMetalContactsConstraintGeneratorCreator | |
| CRemoveConstraints | Removes constraints generated by a ConstraintGenerator |
| CEXCN_RemoveCstsFailed | |
| CRemoveConstraintsCreator | |
| CResidueTypeConstraintGenerator | Generates atom pair constraints for a set of residues in the current pose |
| CResidueTypeConstraintGeneratorCreator | |
| CTerminiConstraintGenerator | Generates distance constraints between the upper and lower termini |
| CTerminiConstraintGeneratorCreator | |
| ►Nconstraint_movers | |
| CAddConstraintsToCurrentConformationMover | |
| CAddConstraintsToCurrentConformationMoverCreator | |
| CClearConstraintsMover | |
| CClearConstraintsMoverCreator | |
| CConstraintSetMover | |
| CConstraintSetMoverCreator | |
| CCstInfoMover | A Mover to output information about constraints |
| CCstInfoMoverCreator | |
| CResidueTypeConstraintMover | |
| CResidueTypeConstraintMoverCreator | |
| ►Nconstraints_additional | |
| CBindingSiteConstraintCreator | Mover creator for the BindingSiteConstraint constraint |
| CSequenceCoupling1BDConstraintCreator | Mover creator for the SequenceCoupling1BDconstraint |
| CSequenceCouplingConstraintCreator | Mover creator for the SequenceCouplingconstraint |
| CNamedAtomPairConstraintCreator | This class can be used to replace the standard AtomPairConstraintsCreator; see BrokerMain.cc for an example |
| CAmbiguousMultiConstraint | |
| CBindingSiteConstraint | |
| CCombinedConstraintEvaluator | |
| CCombinedConstraintEvaluatorCreator | Creator for the CombinedConstraintsEvaluatorCreator class |
| CCOMCoordinateConstraint | |
| CConstraintEvaluator | |
| CConstraintEvaluatorCreator | Creator for the ConstraintsEvaluatorCreator class |
| CMaxSeqSepConstraintSet | |
| CSequenceCoupling1BDConstraint | |
| CSequenceCouplingConstraint | |
| ►Ncontact_map | |
| CContactMap | |
| CContactPartner | Simple class that holds the information on an atom involved in a contact |
| CContact | Simple class representing a contact between two atoms |
| CContactMapCreator | |
| ►Ncoupled_moves | Protocol that combines backbone moves and sidechain moves in a single Monte Carlo step |
| CCoupledMovesProtocol | |
| CCoupledMovesProtocolCreator | |
| ►Ncryst | |
| CCheshireCell | A struct used by spacegroup.cc and its helper functions |
| CReportGradientsMover | |
| CSetCrystWeightMover | |
| CRecomputeDensityMapMover | |
| CLoadDensityMapMover | This class loads a density map into global data. Each apply will regenerate this data and force a reload of the data by default |
| CFitBfactorsMover | |
| CUpdateSolventMover | |
| CTagPoseWithRefinementStatsMover | |
| CSetRefinementOptionsMover | |
| CReportGradientsMoverCreator | |
| CSetCrystWeightMoverCreator | |
| CRecomputeDensityMapMoverCreator | |
| CLoadDensityMapMoverCreator | |
| CFitBfactorsMoverCreator | |
| CUpdateSolventMoverCreator | |
| CTagPoseWithRefinementStatsMoverCreator | |
| CSetRefinementOptionsMoverCreator | |
| CUpdateCrystInfo | |
| CCrystRMS | |
| CDockLatticeMover | |
| CMakeLatticeMover | |
| CUpdateCrystInfoCreator | |
| CCrystRMSCreator | |
| CDockLatticeMoverCreator | |
| CMakeLatticeMoverCreator | |
| CMakeLayerMoverCreator | |
| CSpacegroup | |
| CMakeLayerMover | |
| CWallpaperGroup | |
| ►Ncutoutdomain | |
| CCutOutDomain | This mover takes a template pdb and cuts the active pose accroding to start and end position relative to the template pose |
| CCutOutDomainCreator | |
| ►Ncyclic_peptide | |
| ►Ncrosslinker | |
| COne_Four_BBMB_Helper | A derived class of the CrosslinkerMoverHelper base class, used to set up the 1,4-bis(bromomethyl)benzene (BBMB) cross-linker |
| CCrosslinkerMoverHelper | A base class for helper objects that the CrosslinkerMover uses to set up specific types of linkers |
| CLanthionine_Helper | A crosslinker class for lanthipeptides (lanthionine and methyllanthionine) |
| CMetal_HelperBase | A base class for setting up metals. This is a pure virtual class that must be subclassed for specific metal geometries. |
| COctahedralMetal_Helper | A helper class for setting up octahedrally-coordinated metals |
| CSquarePlanarMetal_Helper | A helper class for setting up square planarly-coordinated metals like Ni |
| CSquarePyramidalMetal_Helper | A helper class for setting up square pyramidally-coordinated metals like Ni |
| CTBMB_Helper | A derived class of the CrosslinkerMoverHelper base class, used to set up the 1,3,5-tris(bromomethyl)benzene (TBMB) cross-linker |
| CTetrahedralMetal_Helper | A helper class for setting up tetrahedrally-coordinated metals like Zn or Cu |
| CThioether_Helper | A CrosslinkerMoverHelper for placing a terminal (or lariat-style) thioether linkage |
| CTMA_Helper | A derived class of the CrosslinkerMoverHelper base class, used to set up the trimesic acid (TMA) cross-linker |
| CTrigonalPlanarMetal_Helper | A helper class for setting up trigonal planarly-coordinated metals like Zn or Cu |
| CTrigonalPyramidalMetal_Helper | A helper class for setting up trigonal pyramidally-coordinated metals like Zn or Cu |
| CCrankshaftFlipMover | This mover performs a cyclic-aware crankshaft flip at a residue position |
| CCrankshaftFlipMoverCreator | |
| CCreateAngleConstraint | |
| CCreateAngleConstraintCreator | |
| CCreateDistanceConstraint | |
| CCreateDistanceConstraintCreator | |
| CCreateTorsionConstraint | |
| CCreateTorsionConstraintCreator | |
| CCrosslinkerMover | This mover links two or more residues with a (possibly symmetric) cross-linker. It adds the crosslinker, sets up constraints, optionally packs and energy-mimizes it into place (packing/minimizing only the crosslinker and the side-chains to which it connects), and then optionally relaxes the whole structure |
| CCrosslinkerMoverCreator | |
| CCycpepRigidBodyPermutationMover | A mover that takes a cyclic peptide and alters its position (rigid-body transform), superimposing it on a cyclic permutation or reverse cyclic permutation of itself |
| CCycpepRigidBodyPermutationMoverCreator | |
| CCycpepSymmetryFilter | A filter that examines a cyclic peptide's structure and returns TRUE if and only if it has a desired backbone symmetry |
| CCycpepSymmetryFilterCreator | |
| CFlipChiralityMover | |
| CFlipChiralityMoverCreator | |
| COversaturatedHbondAcceptorFilter | This filter flags poses containing more than two hydrogen bonds to an oxygen atom, a common pathology that results from Rosetta's pairwise-decomposible scorefunction, which can't penalize excessive hydrogen bonds |
| COversaturatedHbondAcceptorFilterCreator | |
| CPeptideCyclizeMover | |
| CPeptideCyclizeMoverCreator | |
| CPeptideInternalHbondsFilter | A filter that thinly wraps the PeptideInternalHbondsMetric |
| CPeptideInternalHbondsFilterCreator | |
| CPeptideInternalHbondsMetric | A simple metric for measuring the backbone hydrogen bonds within a peptide backbone, ignoring hydrogen bonds to other parts of a pose. Note that this metric does not count intra-residue hydrogen bonds |
| CPeptideInternalHbondsMetricCreator | |
| CPeptideStubMover | |
| CPeptideStubMoverCreator | |
| CRamaMutationSelector | Selects positions that would have a rama_prepro score below a given threshold IF mutated to a given residue type |
| CRamaMutationSelectorCreator | |
| CSymmetricCycpepAlign | Given a quasi-symmetric cyclic peptide, this mover aligns the peptide so that the cyclic symmetry axis lies along the Z-axis and the centre of mass is at the origin. It then optionally removes all but one symmetry repeat, so that true symmetry may be set up with the SetupForSymmetry mover |
| CSymmetricCycpepAlignCreator | |
| CTryDisulfPermutations | |
| CTryDisulfPermutationsCreator | |
| ►Ncyclic_peptide_predict | |
| CHierarchicalHybridJD_JobResultsSummary | A class for summarizing the result of an MPI-mode job run with the SimpleCycpepPredictApplication |
| CHierarchicalHybridJD_PNearToArbitraryStateSummary | A class for storing the PNear, Keq, and DeltaG_folding values to an arbitrary state that has been sampled |
| CHierarchicalHybridJD_ResultsSummaryBase | A pure virtual base class for the helper classes used by the HierarchicalHybridJDApplication class for transmitting information up the MPI hierarchy |
| CHierarchicalHybridJD_RMSDToBestSummary | A small helper class used by the HierarchicalHybridJDApplication class for transmitting RMSD information up the MPI hierarchy |
| CHierarchicalHybridJD_SASASummary | A class for storing information about solvent-exposed surface area and for transmitting it up the MPI hierarchy |
| CPNearCalculator | A class to compute P_Near and DG_folding |
| CSimpleCycpepPredictApplication | Application-level code for simple_cycpep_predict application |
| ►NddG | |
| CddGData | |
| ►Nddg | |
| CddGMover | |
| ►Ndenovo_design | |
| ►Narchitects | |
| CBetaSheetArchitect | Architect that creates a beta sheet |
| CEXCN_PreFilterFailed | |
| CBetaSheetArchitectCreator | |
| CBlueprintArchitect | Designs a structure using a Blueprint file |
| CBlueprintArchitectCreator | |
| CCompoundArchitect | Architect that creates a StructureData using multiple architects |
| CCompoundArchitectCreator | |
| CDeNovoArchitect | For planning ideal pieces of structures |
| CDeNovoArchitectCreator | |
| CDeNovoArchitectFactory | Creates DeNovo architects |
| CHelixArchitect | Architect for helices |
| CHelixArchitectCreator | |
| CMotifArchitect | For planning arbitrary motifs |
| CMotifArchitectCreator | |
| CPoseArchitect | Design segments based on a pose |
| CPoseArchitectCreator | |
| CStrandArchitect | Architect that creates a beta strand |
| CStrandArchitectCreator | |
| CSecStructInfo | |
| CStructureArchitect | Designs topologies |
| ►Ncalculators | |
| CCavityCalculator | |
| ►Ncomponents | |
| CStructureSlicePredicate | |
| CStructureSlice | |
| CBuildPhases | |
| CSegmentPairSet | |
| CDivideAndConqueror | Splits a denovo structure into pieces, and devises a strategy for folding the structure piece-by-piece |
| CSolutionPredicate | |
| CPoseBuilder | Builds a pose from StructureData |
| CExtendedPoseBuilder | |
| CSolutionSorter | |
| CFoldGraph | |
| CNamedSolution | |
| CNamedSolutions | |
| CIdealAbegoGenerator | Logic for selection of abego values |
| CNullPoseFolder | Folds a pose using random phi/psi torsions |
| CVLBProtected | |
| CPicker | Class used for picking/caching fragments |
| CEXCN_Fold | Exception thrown by PoseFolder::apply to indicate folding was not successful |
| CPoseFolder | Given a pose with all residues, and a StructureData object, assign a 3D conformation to the pose |
| CRandomTorsionPoseFolder | Folds a pose using random phi/psi torsions |
| CRemodelLoopMoverPoseFolder | Folds residues in a pose using RemodelLoopMover |
| CResidueDihedrals | |
| CSegment | Manages information about segments of residues |
| CSegmentPairing | |
| CHelixPairing | |
| CStrandPairing | |
| CHelixSheetPairing | |
| CSheetDB | Class used to create/manipulate a database of sheets using a list of pdb files |
| CAlias | |
| CBondInfo | |
| CStructureData | |
| CEXCN_PoseInconsistent | |
| CStructureDataCreator | |
| CStructureDataFactory | Singleton for creating StructureData objects |
| CEXCN_RemarksNotPresent | |
| CSegmentCounts | |
| CStructureDataObserver | Cacheable observer that keeps track of what length events occured |
| CStructureDataPerturber | Classes for altering StructureData objects on the fly |
| CNullPerturber | Perturber that does nothing |
| CConnectionPerturber | "mutates" a connection |
| CHelixPerturber | "mutates" a helix |
| CCompoundPerturber | "mutates" a set of mixed architects |
| CVectorSelector | Selects items from a vector using different methods |
| CRandomVectorSelector | Selects items from a vector randomly |
| CEnumeratedVectorSelector | Selects items sequentially from a vector |
| ►Nconnection | |
| CConnectionArchitect | Architect for covalently joining two segments of a pose |
| CAreConnectablePredicate | |
| CEXCN_ConnectionSetupFailed | |
| ►Nconstraints | |
| CFileConstraintGenerator | |
| CFileConstraintGeneratorCreator | |
| ►Nfilters | |
| CCavityVolumeFilter | |
| CCavityVolumeFilterCreator | |
| CExposedHydrophobicsFilter | |
| CExposedHydrophobicsFilterCreator | |
| CPreProlineFilter | |
| CPreProlineFilterCreator | |
| CSSPredictionFilter | |
| CSSPredictionFilterCreator | |
| CSSShapeComplementarityFilter | |
| CSSShapeComplementarityFilterCreator | |
| ►Nmovers | |
| CAddSegmentDataMover | Adds a segment to the structuredata |
| CAddSegmentDataMoverCreator | |
| CAlignResiduesMover | Aligns one residue onto another |
| CAlignResiduesMoverCreator | |
| CBridgeChainsMover | Creates a bridge connection between two chains using remodel |
| CBridgeChainsMoverCreator | |
| CBridgeChainsCreator | |
| CDeclareStructureDataCovalentBondMover | Declares covalent bond |
| CDeclareStructureDataCovalentBondMoverCreator | |
| CExtendChainMover | |
| CExtendChainMoverCreator | |
| CRelaxScriptCommand | |
| CFastDesign | |
| CFastDesignCreator | |
| CFoldArchitectMover | Mover that builds and folds a structure via fragment insertion |
| CSetPoseSecstructFromStructureDataMover | |
| CEXCN_FilterFailed | |
| CEXCN_NothingToFold | |
| CBuildDeNovoBackboneMover | |
| CFoldArchitectMoverCreator | |
| CBuildDeNovoBackboneMoverCreator | |
| CCutAndJump | |
| CFoldTreeFromFoldGraphMover | Creates and sets a new fold tree for the pose by traversing a FoldGraph |
| CFoldTreeFromFoldGraphMoverCreator | |
| CMakeAsymmetricStructureDataMover | Converts a StructureData for a symmetric pose into an asymmetric representation |
| CMakeAsymmetricStructureDataMoverCreator | |
| CRotationRange | |
| CRotateSegmentMover | Rotates a segment in the pose |
| CRotateSegmentMoverCreator | |
| CSealFoldTreeMover | Creates a sealed foldtree, and removes all cutpoints from the pose |
| CSealFoldTreeMoverCreator | |
| CSetResidueAliasMover | Sets a residue alias in the StructureData |
| CSetResidueAliasMoverCreator | |
| ►Nresidue_selectors | |
| CNamedSegmentSelector | Selects residues from a named segment generated by StructureArchitects |
| CNamedSegmentSelectorCreator | |
| CPairedSheetResidueSelector | Selects residues that are involved in strand-strand pairings |
| CPairedSheetResidueSelectorCreator | |
| ►Ntask_operations | |
| CSurroundingSS | |
| CAAFrequency | |
| CAAFrequencies | |
| CConsensusLoopDatabase | |
| CLoopInfo | |
| CConsensusLoopDesignOperation | |
| CConsensusLoopDesignOperationCreator | |
| CDisulfidizeMover | |
| CDisulfidizeMoverCreator | |
| ►Ndesign_opt | |
| CGreedyOptMutationMover | |
| CGreedyOptMutationMoverCreator | |
| CPointMutationCalculator | |
| CSupercharge | Adds charged residues to a protein surface |
| ►Ndna | |
| CDesignProteinBackboneAroundDNA | |
| CDesignProteinBackboneAroundDNACreator | |
| CDnaPosition | |
| CDnaChains | |
| CDnaDesignDef | Command-line dna_defs are of the format "C.501.ADE" they are parsed here into this little class for convenience |
| CDnaNeighbor | |
| CDnaInterfaceFinder | |
| CDnaInterfaceMinMover | |
| CDnaInterfaceMinMoverCreator | |
| CDnaInterfaceMultiStateDesign | Wraps DNA-interface specific considerations around the general multistate design / genetic algorithm framework |
| CDnaInterfaceMultiStateDesignCreator | |
| CReversion | |
| CResTypeSequence_lt | |
| CDnaInterfacePacker | |
| CDnaInterfacePackerCreator | |
| CDNABase | |
| CDNABasepair | |
| CDNABasestep | |
| CDNAParameters | |
| CPDBOutput | |
| CRestrictDesignToProteinDNAInterface | |
| CRestrictDesignToProteinDNAInterfaceCreator | |
| CRotamerDNAHBondFilter | |
| CSeparateDnaFromNonDna | |
| CSeparateDnaFromNonDnaCreator | |
| CPositionType | Basic struct for remembering position/type information before/during/after design |
| CWatsonCrickRotamerCouplings | |
| CWatsonCrickRotamerCouplingsCreator | |
| ►Ndna_dock | |
| CDNAClashCheckFilter | |
| CDNAClashCheckFilterCreator | |
| CPropagateClashCheckFilter | |
| CPropagateClashCheckFilterCreator | |
| ►Ndocking | |
| ►Nmembrane | |
| CMPDockingMover | Docks two proteins together in the membrane bilayer |
| CMPDockingMoverCreator | Mover Creator |
| CMPDockingSetupMover | Setup for MPDocking |
| CMPDockingSetupMoverCreator | Mover Creator |
| CMPFindInterfaceMover | |
| CMPFindInterfaceMoverCreator | Mover Creator |
| CQuickRelaxPartnersSeparately | |
| CQuickRelaxPartnersSeparatelyCreator | Mover Creator |
| ►Nstateless | |
| CSaneDockingProtocol | |
| CConformerSwitchMover | This mover does the conformer swap in RosettaDock's ensemble docking. It takes in a multi-model PDB file as an ensemble, and does swaps conformers by superpositioning over interface residues, and selects a conformer based on a partition function using a ScoreFunction |
| CConformerSwitchMoverCreator | |
| CDockingLowResFilter | Low-resolution (centroid-mode) filter for docking. Checks (1) at least some contact is being made between docking partners, (2) clashes are limited so partners are not overlapping and (3) constraints, if present, are met |
| CDockingHighResFilter | High-resolution (all-atom) filter for docking. Checks (1) total_score beats the cutoff given (2) interface_score must be negative |
| CDockingEnsemble | This mover does the conformer swap in RosettaDock's ensemble docking. It takes in a multi-model PDB file as an ensemble, and does swaps conformers by superpositioning over interface residues, and selects a conformer based on a partition function using a ScoreFunction |
| CDockingEnsemblePrepackProtocol | |
| CDockingHighRes | |
| CDockingHighResFactory | DockingHighResFactory uses the MoverFactory to create instances of DockingHighRes |
| CDockingHighResLegacy | This mover does the high resolution refinement stage of the RosettaDock algorithm |
| CDockingHighResLegacyCreator | |
| CDockingInitialPerturbation | This mover carries out the initial perturbation phase of the RosettaDock algorithm based on user-inputted command line options |
| CDockingSlideIntoContact | Contrary to the name, slides things apart first, then together. OK for proteins, bad for ligands (because they may escape the pocket permanently) |
| CFaDockingSlideIntoContact | Slides docking partners together by monitoring fa_rep |
| CSlideIntoContact | More general function for low-res or highres DockingSlideIntoContact |
| CDockingInitialPerturbationCreator | |
| CDockingLowRes | |
| CDockingLowResEnsemble | |
| CDockingPrepackProtocol | |
| CDockingPrepackProtocolCreator | |
| CDockingProtocol | This is the standard RosettaDock protocol |
| CDockingProtocolCreator | |
| CDockingSlideIntoContactCreator | |
| CDockMCMCycle | |
| CDockMCMProtocol | |
| CDockMCMProtocolCreator | |
| CDockMinMover | |
| CDockMinMoverCreator | |
| CDockSetupMover | Allows docking using simulated or parallel tempering |
| CDockSetupMoverCreator | |
| CDockTaskFactory | |
| CEllipsoidalRandomizationMover | |
| CEnsureExclusivelySharedJumpMover | |
| CEnsureExclusivelySharedJumpMoverCreator | |
| CRigidBodyInfo | |
| CSidechainMinMover | |
| CInterfaceSidechainMinMover | |
| CTemperedDocking | Allows docking using simulated or parallel tempering |
| CTemperedDockingCreator | |
| ►Ndomain_assembly | |
| CAddAssemblyConstraints | |
| CAssembleLinkerMover | |
| CCombineChainsMover | |
| CPostDockAssemblyScorer | |
| ►Ndrug_design | |
| ►Nbcl | |
| CBCLFragmentBaseMover | |
| CBCLFragmentMutateMover | |
| CBCLFragmentMutateMoverCreator | |
| CBCLReferenceSDFilesManager | A singleton class for managing supplementary SDFs to ensure that they are loaded once and only once from disk |
| CBCLSampleConfsManager | A singleton class for managing supplementary SDFs to ensure that they are loaded once and only once from disk |
| CApplyChemistryMover | Apply a given Chemistry modifier to the ResidueType at a given position, then replace the ResidueType at that position |
| CApplyChemistryMoverCreator | |
| CAtomExistsFilter | |
| CAtomExistsFilterCreator | |
| CChemicalReaction | |
| CConformationSelectionToRDMol | |
| CDrugDesignMover | |
| CDrugDesignMoverCreator | |
| CDrugPolishMover | |
| CDrugPolishMoverCreator | |
| CHeteroHeteroBondFilter | |
| CHeteroHeteroBondFilterCreator | |
| CLigandLocationFilter | |
| CLigandLocationFilterCreator | |
| CNChiFilter | |
| CNChiFilterCreator | |
| CRandomFragmentLigand | |
| CRandomFragmentLigandCreator | |
| CRDKitMetric | A SimpleMetric which measures properties calcualted by RDKit on a ligand |
| CRDKitMetricCreator | |
| CRDKitMetricFilter | |
| CRDKitMetricFilterCreator | |
| CRDKitMetricsMover | |
| CRDKitMetricsMoverCreator | |
| ►CReactionBasedAnalogSampler | |
| ►CProduct | |
| CHashFunction | |
| CReagent | |
| CReactionBasedAnalogSamplerCreator | |
| CReactionChemistry | |
| CReactionFragment | |
| CReactionFragmentCreator | |
| CReactionGrow | |
| CReactionGrowCreator | |
| CReactionMultiTransform | |
| CReactionMultiTransformCreator | |
| CSAScoreFilter | |
| CSAScoreData | |
| CSAScoreFilterCreator | |
| CSubstituentReplace | |
| CSubstituentReplaceCreator | |
| CAtomSubstitution | A class representing a substitution of an atom from an original molecule through a pair of matched templates to a substituted molecule. Intended to be used through MoleculeSubstitution |
| CMoleculeSubstitution | A class representing a substitution of a molecule from an original molecule through a pair of matched templates to a substituted molecule |
| CSubstructureReplace | |
| CSubstructureReplaceCreator | |
| ►Nelectron_density | |
| CBfactorMultifunc | Bfactor multifunc |
| CBfactorFittingMover | Mover to fit B factors |
| CBfactorFittingMoverCreator | |
| CDensitySymmInfo | Scale density map intensities to match a pose's |
| CDensityZscores | Protocol to score local density-fit |
| CDensityZscoresCreator | |
| CDockFragmentsIntoDensityMover | The workhorse |
| CRBfitResult | CLASSES |
| CRefinementResult | |
| CRBfitResultComparitor | |
| CRefinementResultComparitor | |
| CRevRefinementResultComparitor | |
| CPointScoreComparator | |
| CResultDB | |
| CPoseSphericalSamplesOptions | |
| CSelectDensityPointsOptions | |
| CDensityGridSearchOptions | |
| CMinimizePoseIntoDensityOptions | |
| CDockPDBIntoDensityMover | |
| CPerlinNoise | |
| CReportFSC | Scale density map intensities to match a pose's |
| CReportFSCCreator | |
| CScaleMapIntensities | Scale density map intensities to match a pose's |
| CScaleMapIntensitiesCreator | |
| CSetupForDensityScoringMover | |
| CSetupForDensityScoringMoverCreator | |
| CVoxelSpacingMultifunc | Bfactor multifunc |
| CVoxelSpacingRefinementMover | Mover to fit B factors |
| CVoxelSpacingRefinementMoverCreator | |
| ►Nenergy_based_clustering | |
| CEnergyBasedClusteringOptions | A container for the options used by the EnergyBasedClusteringProtocol |
| CEnergyBasedClusteringProtocol | Performs the work done by the energy_based_clustering app. Uses an energy-biased cookie-cutter approach to cluster a large number of structures without generating an all-by-all RMSD matrix |
| ►Nenvironment | |
| ►Nclaims | |
| CResidueElement | |
| CJumpElement | |
| CCutElement | |
| CCutBiasElement | |
| CDOFElement | |
| CClaimStrength | |
| CCutBiasClaim | |
| CEnvClaim | |
| CEnvLabelSelector | |
| CJumpClaim | |
| CTorsionClaim | |
| CVirtResClaim | |
| CXYZClaim | |
| CAutoCutData | |
| CAutoCutDataCreator | |
| CClientMover | |
| CCoMTrackerCM | |
| CCoMTrackerCMCreator | |
| CDofUnlock | |
| CComparator | A brief comparator object initialized with the correct strength accessor for reuse of setup_passports |
| ►CEnvClaimBroker | |
| CBrokeredJumpData | Inner class for tracking the properties of jumps that've been brokered |
| CBrokerResult | |
| CEXCN_Env_Security_Exception | |
| CEXCN_Env_Passport | |
| CEnvironment | |
| CEnvMover | |
| CEnvMoverCreator | |
| CProtectedConformation | |
| CScriptCM | |
| CScriptCMCreator | |
| ►Nenzdes | |
| CAddLigandMotifRotamersOperationCreator | |
| CAddOrRemoveMatchCsts | A simple wrapper to get the functionality in EnzConstraintIO into mover format |
| CAddOrRemoveMatchCstsCreator | |
| CAddRigidBodyLigandConfsCreator | |
| CBackboneSampler | |
| CBackboneSamplerCreator | |
| CDesignVsNativeComparison | Class that holds a bunch of native poses and compares them |
| CDetectProteinLigandInterfaceOperationCreator | |
| CEnzdesBaseProtocol | |
| CEnzdesFixBBProtocol | |
| CEnzdesFlexBBProtocol | |
| CEnzdesFlexibleRegion | |
| CEnzdesJobInputter | |
| CEnzdesJobInputterCreator | |
| CEnzdesJobOutputter | For now this class only writes a different scorefile than the default one written by the FileJobOutputter. the structure output format is pdb SML Feb 4 2016 note. I moved most of PDBJobOutputter into an intermediate class wwPDBJobOutputter to share functions with mmCIFJobOutputter. This class is not being modified (doesn't appear to need it). Its use of dump_pdb forces that function to be protected rather than private |
| CEnzdesJobOutputterCreator | |
| CEnzdesConstraintReporter | |
| CPredesignPerturbMover | |
| CRepackLigandSiteWithoutLigandMover | Class that will identify the region around the ligand, remove it, and then do a repack. It can also calculate the following parameters: E diff after the repack, (in essence a crude delta G calc) rmsd of the repacked site after the repack and rmsd of catalytic residues |
| CUpdateEnzdesHeaderMover | Mover that updates the enzdes pdb header, for use in cases where catalytic residues may be designed |
| CPredesignPerturbMoverCreator | |
| CUpdateEnzdesHeaderMoverCreator | |
| CSetCatalyticResPackBehavior | Queries the pose cst cache for the catalytic residues, and sets the behavior for them as specified in the cstfile |
| CDetectProteinLigandInterface | Given a set of cut1/cut2/cut3/cut4 distance specifications, alter a packing task to set residues within alpha carbons within cut1 of a ligand (or within cut2 with beta carbons facing inwards) to redesign, and within cut3 (or cut4 facing inwards) to repack, and all others to fixed. If a resfile is provided, only do the detection for those residues set to AUTO in the resfile |
| CProteinLigandInterfaceUpweighter | Class to alter a packer task to speficially upweight the protein-ligand interaction energies |
| CAddRigidBodyLigandConfs | |
| CAddLigandMotifRotamers | |
| CDiffAtomSasaFilterCreator | |
| CEnzScoreFilterCreator | |
| CLigBurialFilterCreator | |
| CLigDSasaFilterCreator | |
| CLigInterfaceEnergyFilterCreator | |
| CRepackWithoutLigandFilterCreator | |
| CEnzdesScorefileFilterCreator | |
| CResidueConformerFilterCreator | |
| CLigDSasaFilter | |
| CLigBurialFilter | |
| CLigInterfaceEnergyFilter | |
| CEnzScoreFilter | |
| CDiffAtomSasaFilter | |
| CRepackWithoutLigandFilter | |
| CValueEvaluator | Tiny helper struct for EnzdesScoreFileFilter |
| CEnzdesScorefileFilter | |
| CResidueConformerFilter | Filter that figures out which rotamer of a given rotamer lib is in the pose at apply time, and can be used to filter on it. supposed to be used for ligands, and for now only tested for them, but should also work with any other residue. can be used for example in specificity redesign, if one wants to divide up a bunch of designs according to the orientation in which they bind the ligand |
| CEnzRepackMinimize | |
| CEnzRepackMinimizeCreator | |
| CModifyStoredRBConfs | Virtual base class that has some common functionality |
| CGenerateStoredRBConfs | Generates random rbconfs until a total of num_total_rbconfs_ are present in the cacheable observer. The diversifier is used to ensure that all newly generated confs are different. note: no scorefunction used |
| CApplyRandomStoredRBConf | For every ligand that has additional stored rb conformations in the enzdes cacheable observer, the one currently in the pose gets exchanged with a random stored one |
| CMinimizeStoredRBConfs | Rotamer trials/minimizes each of the ligand conformations stored in the enzdes cacheable observer and overwrites them with the minimized position. if the new, minimized position is too close to one that already exists, a random small perturbation is applied to ensure diversity note: only jump minimization |
| CDiversifyStoredRBConfs | Uses a docking mover to diversiy the stored confs until they're all min_rms_ away from each other note: no scorefunction used here |
| CPackRotamersMoverPartGreedy | Mover that packs the side-chains around a given set of target residues in a greedy fashion, and then packs the rest using the sim annealer |
| CPackRotamersMoverPartGreedyCreator | |
| CProteinLigandInterfaceUpweighterOperationCreator | |
| CRemoveLigandFilter | |
| CRemoveLigandFilterCreator | |
| CSecondaryMatchProtocol | |
| CPoseFoundResiduesCombination | Helper class to process and output the different found poses |
| CSetCatalyticResPackBehaviorCreator | |
| ►Nenzymatic_movers | |
| CDNAMethyltransferaseMover | |
| CDNAMethyltransferaseMoverCreator | MoverCreator allowing the MoverFactory to create a DNAMethyltransferaseMover |
| CEnzymaticMover | |
| CGlycosyltransferaseMover | |
| CGlycosyltransferaseMoverCreator | MoverCreator allowing the MoverFactory to create a GlycosyltransferaseMover |
| CKinaseMover | |
| CKinaseMoverCreator | MoverCreator allowing the MoverFactory to create a KinaseMover |
| CNTerminalAcetyltransferaseMover | |
| CNTerminalAcetyltransferaseMoverCreator | MoverCreator allowing the MoverFactory to create an NTerminalAcetyltransferaseMover |
| ►Nesm_perplexity | |
| CEsmPerplexityTensorflowProtocol | Protocol to predict amino acid probabilities using the ESM language model family |
| CPerResidueEsmProbabilitiesMetric | A metric for estimating the amino acid probabilities using the ESM language model family |
| CPerResidueEsmProbabilitiesMetricCreator | |
| CPseudoPerplexityMetric | A metric for calculating the (pseudo-)perplexity of a sequence |
| CPseudoPerplexityMetricCreator | |
| ►Nevaluation | |
| CAlignEvaluator | |
| CEvaluatorCreator | The Creator class is responsible for creating a particular mover class |
| CEvaluatorFactory | Create Evaluator Reporters |
| CEvaluatorRegistrator | This templated class will register an instance of an EvaluatorCreator (class T) with the EvaluatorFactory. It will ensure that no EvaluatorCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CPCA | |
| CSingleValuePoseEvaluator | |
| CPoseEvaluator | |
| CMetaPoseEvaluator | |
| CSingleValuePoseEvaluator_Size | |
| CSingleValuePoseEvaluator_SSize | |
| CTimeEvaluator | |
| ►Nevolution | |
| CAASynthesisFitnessCost | Test whether a pose contains a comment that evaluates to a predefined value. This is useful in controlling execution flow in RosettaScripts |
| CAASynthesisFitnessCostFilterCreator | |
| CAlignmentAAFinder | Test whether a pose contains a comment that evaluates to a predefined value. This is useful in controlling execution flow in RosettaScripts |
| CAlignmentAAFinderFilterCreator | |
| CAlignmentGapInserter | Test whether a pose contains a comment that evaluates to a predefined value. This is useful in controlling execution flow in RosettaScripts |
| CAlignmentGapInserterFilterCreator | |
| CEvolutionaryDynamicsMover | |
| CEvolutionaryDynamicsMoverCreator | |
| CNucleotideMutation | Designs alanine residues in place of the residue identities at the interface. Retains interface glycines and prolines |
| CNucleotideMutationCreator | |
| ►Nfarnesyl | |
| CInstallFarnesylMover | Modifies a free cysteine residue with a branch of 3 DMA residues (the terpene monomer) to create farnesyl-cysteine |
| CInstallFarnesylMoverCreator | |
| CSampleFarnesylMover | Modifies a free cysteine residue with a branch of 3 DMA residues (the terpene monomer) to create farnesyl-cysteine |
| CSampleFarnesylMoverCreator | |
| ►Nfeatures | |
| ►NhelixAssembly | |
| CConcurrencyTest | |
| CConcurrencyTestCreator | Creator for the HelixBundleFeatures class |
| CHelicalFragment | |
| CFragmentPair | |
| CHelixBundleFeatures | |
| CHelixBundleFeaturesCreator | Creator for the HelixBundleFeatures class |
| ►Nstrand_assembly | |
| CSandwichFeatures | |
| CSandwichFeaturesCreator | Creator for the SandwichFeatures class |
| CSandwichFragment | |
| CStrandBundleFeatures | |
| CStrandBundleFeaturesCreator | Creator for the StrandBundleFeatures class |
| CStrandFragment | |
| CAtomAtomPairFeatures | |
| CAtomAtomPairFeaturesCreator | Creator for the AtomAtomPairFeatures class |
| CAtomInResidueAtomInResiduePairFeatures | |
| CAtomInResidueAtomInResiduePairFeaturesCreator | Creator for the AtomInResidueAtomInResiduePairFeatures class |
| CAtomTypesFeatures | |
| CAtomTypesFeaturesCreator | Creator for the AtomTypesFeatures class |
| CBatchFeatures | |
| CBetaTurnDetection | |
| CBetaTurnDetectionFeatures | |
| CBetaTurnDetectionFeaturesCreator | Creator for the BetaTurnDetectionFeatures class |
| CChargeChargeFeatures | |
| CChargeChargeFeaturesCreator | Creator for the ChargeChargeFeatures class |
| CDatabaseFilter | |
| CTopCountOfEachInput | |
| CTopCountOfAllInputs | |
| CTopPercentOfEachInput | |
| CTopPercentOfAllInputs | |
| CDatabaseJobInputter | |
| CDatabaseJobInputterCreator | |
| CDatabaseJobOutputter | |
| CDatabaseJobOutputterCreator | |
| CDdGFeatures | |
| CDdGFeaturesCreator | Creator for the DdGFeatures class |
| CFeaturesReporter | |
| CFeaturesReporterCreator | The Creator class is responsible for creating a particular mover class |
| CFeaturesReporterFactory | Create Features Reporters |
| CFeaturesReporterRegistrator | This templated class will register an instance of an FeaturesReporterCreator (class T) with the FeaturesReporterFactory. It will ensure that no FeaturesReporterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CGeometricSolvationFeatures | |
| CGeometricSolvationFeaturesCreator | Creator for the GeometricSolvationFeatures class |
| CHBondFeatures | |
| CHBondFeaturesCreator | Creator for the HBondFeatures class |
| CHBondParameterFeatures | |
| CHBondParameterFeaturesCreator | Creator for the HBondParameterFeatures class |
| CHelixCapFeatures | |
| CHelixCapFeaturesCreator | Creator for the HelixCapFeaturesCreator class |
| CInterfaceDdGMover | Calculates ddG of binding |
| CInterfaceDdGMoverCreator | |
| CInterfaceFeatures | Analyzes interfaces and interface residues of a pose mainly using InterfaceAnalayzerMover. By default, will analyze every interface with and report any that have dSASA > cutoff. Interfaces to report can be set via code or RS |
| CInterfaceFeaturesCreator | Creator for the HBondParameterFeatures class |
| CJobDataFeatures | |
| CJobDataFeaturesCreator | Creator for the JobDataFeatures class |
| CLoopAnchorFeatures | |
| CLoopAnchorFeaturesCreator | Creator for the LoopAnchorFeatures class |
| Cclique_saver | |
| CSegment | |
| CModelFeatures | |
| CModelFeaturesCreator | Creator for the ModelFeatures class |
| COrbitalsFeatures | |
| COrbitalsFeaturesCreator | Creator for the OrbitalsFeatures class |
| CPairFeatures | |
| CPairFeaturesCreator | Creator for the PairFeatures class |
| CPdbDataFeatures | |
| CPdbDataFeaturesCreator | Creator for the PdbDataFeatures class |
| CPoseCommentsFeatures | |
| CPoseCommentsFeaturesCreator | Creator for the PoseCommentsFeatures class |
| CPoseConformationFeatures | |
| CPoseConformationFeaturesCreator | Creator for the PoseConformationFeatures class |
| CProteinBackboneAtomAtomPairFeatures | |
| CProteinBackboneAtomAtomPairFeaturesCreator | Creator for the ProteinBackboneAtomAtomPairFeatures class |
| CProteinBackboneTorsionAngleFeatures | |
| CProteinBackboneTorsionAngleFeaturesCreator | Creator for the ProteinBackboneTorsionAngleFeatures class |
| CProteinBondGeometryFeatures | |
| CProteinBondGeometryFeaturesCreator | Creator for the ProteinBondGeometryFeatures class |
| CProteinResidueConformationFeatures | |
| CProteinResidueConformationFeaturesCreator | Creator for the ProteinResidueConformationFeatures class |
| CProteinRMSDFeatures | |
| CProteinRMSDFeaturesCreator | Creator for the ProteinRMSDFeatures class |
| CProteinRMSDNoSuperpositionFeatures | |
| CProteinRMSDNoSuperpositionFeaturesCreator | Creator for the ProteinRMSDNoSuperpositionFeatures class |
| CProteinSilentReport | |
| CProtocolFeatures | |
| CRadiusOfGyrationFeatures | |
| CRadiusOfGyrationFeaturesCreator | Creator for the RadiusOfGyrationFeatures class |
| CReport | |
| CReportToDB | |
| CReportToDBCreator | |
| CResidueBurialFeatures | |
| CResidueBurialFeaturesCreator | Creator for the ResidueBurialFeatures class |
| CResidueConformationFeatures | |
| CResidueConformationFeaturesCreator | Creator for the ResidueConformationFeatures class |
| CResidueFeatures | |
| CResidueFeaturesCreator | Creator for the ResidueFeatures class |
| CResidueGridScoresFeatures | |
| CResidueGridScoresFeaturesCreator | Creator for the ResidueGridScoresFeatures class |
| CResidueScoresFeatures | |
| CResidueScoresFeaturesCreator | Creator for the ResidueScoresFeatures class |
| CResidueSecondaryStructureFeatures | |
| CResidueSecondaryStructureFeaturesCreator | Creator for the ResidueSecondaryStructureFeatures class |
| CResidueTotalScoresFeatures | |
| CResidueTotalScoresFeaturesCreator | Creator for the ResidueTotalScoresFeatures class |
| CResidueTypesFeatures | |
| CResidueTypesFeaturesCreator | Creator for the ResidueTypesFeatures class |
| CRotamerBoltzmannWeightFeatures | |
| CRotamerBoltzmannWeightFeaturesCreator | Creator for the RotamerBoltzmannWeightFeatures class |
| CRotamerInitializer | |
| CRotamerFeatures | |
| CRotamerFeaturesCreator | Creator for the RotamerFeatures class |
| CRotamerRecoveryFeatures | |
| CRotamerRecoveryFeaturesCreator | Creator for the RotamerRecoveryFeatures class |
| CRuntimeFeatures | |
| CRuntimeFeaturesCreator | |
| CSaltBridgeFeatures | |
| CSaltBridgeFeaturesCreator | Creator for the SaltBridgeFeatures class |
| CScoreFunctionFeatures | |
| CScoreFunctionFeaturesCreator | Creator for the ScoreFunctionFeatures class |
| CScoreTypeFeatures | |
| CScoreTypeFeaturesCreator | Creator for the ScoreTypeFeatures class |
| CScreeningFeatures | |
| CScreeningFeaturesCreator | Creator for the ScreeningFeaturesCreator class |
| CSecondaryStructureSegmentFeatures | |
| CSecondaryStructureSegmentFeaturesCreator | Creator for the SecondaryStructureSegmentFeaturesCreator class |
| CMetricData | |
| CSimpleMetricFeatures | |
| CSimpleMetricFeaturesCreator | Creator for the SimpleMetricFeatures class |
| CSecondaryStructureSegment | |
| CSmotifFeatures | |
| CSmotifFeaturesCreator | Creator for the SmotifFeaturesCreator class |
| CStructureFeatures | |
| CStructureFeaturesCreator | Creator for the StructureFeatures class |
| CStructureScoresFeatures | |
| CStructureScoresFeaturesCreator | Creator for the StructureScoresFeatures class |
| ►CTaskOperationFeatures | |
| CTaskop_id_name_factory_ | |
| CTaskOperationFeaturesCreator | Creator for the TaskOperationFeatures class |
| CTotalScoreFeatures | |
| CTotalScoreFeaturesCreator | |
| CTrajectoryMapFeatures | |
| CTrajectoryMapFeaturesCreator | Creator for the TrajectoryMapFeatures class |
| CTrajectoryReportToDB | |
| CTrajectoryReportToDBCreator | |
| CUnrecognizedAtomFeatures | |
| CUnrecognizedAtomFeaturesCreator | Creator for the UnrecognizedAtomFeatures class |
| CWaterFeatures | |
| CWaterFeaturesCreator | Creator for the WaterFeatures class |
| ►Nfibril | |
| CSetupForFibrilMover | |
| ►Nfilters | |
| CTrueFilterCreator | |
| CFalseFilterCreator | |
| CTrueFalseFilterCreator | |
| CStochasticFilterCreator | |
| CCompoundFilterCreator | |
| CCombinedFilterCreator | |
| CMoveBeforeFilterCreator | |
| CIfThenFilterCreator | |
| CTrueFilter | |
| CFalseFilter | |
| CTrueFalseFilter | A filter that can be set to either return true or false - useful in RS |
| CStochasticFilter | |
| CCompoundFilter | Used to define a compound logical statement involving other filters with AND, OR and XOR |
| CCombinedFilter | Used to combine multiple seperate filters into a single filter value |
| CMoveBeforeFilter | Apply a sub-mover prior to calculating a filter value |
| CIfThenFilter | Evaluate to a value contingent on the evaluation of another filter |
| CCalculatorFilter | |
| CCalculatorFilterCreator | |
| CContingentFilter | |
| CContingentFilterCreator | |
| CFilter | |
| CFilterCollection | Wrapper-class that contains a vector1 of Filters |
| CFilterCreator | Abstract base class for a Filter factory; the Creator class is responsible for creating a particular filter class |
| CFilterRegistrator | This templated class will register an instance of an FilterCreator (class T) with the FilterFactory. It will ensure that no FilterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CFilterFactory | |
| CFilterValueMetric | Convert the result of a Filter's report_sm() to a SimpleMetric This is intended primarily as a compatibility shim class for making old code compatible. It's not really intended to be used for new work - write a SimpleMetric directly |
| CFilterValueMetricCreator | |
| CReplicateFilter | |
| CReplicateFilterCreator | |
| CTimeFilter | |
| CTimeFilterCreator | |
| CVectorPoseFilter | Designates a filter that can be passed multiple poses by the VectorPoseJobDistributor Any filters deriving from this subclass can then act on all of the input poses simultaneously Only accessible through recon application |
| ►Nfldsgn | |
| ►Nfilters | |
| CCoreDunbrackFilter | |
| CCoreDunbrackFilterCreator | |
| CFragQualFilter | |
| CFragQualFilterCreator | |
| CHelixBendFilter | Filter used in 'Principles for designing proteins with cavities formed by curved b-sheets' to control helix geometry |
| CHelixBendFilterCreator | |
| CHelixKinkFilter | |
| CHelixKinkFilterCreator | |
| CHelixPairingFilter | |
| CHelixPairingFilterCreator | |
| CHSSTripletFilter | |
| CHSSTripletFilterCreator | |
| CInterlockingAromaFilter | |
| CInterlockingAromaFilterCreator | |
| CNcontactsFilter | |
| CNcontactsFilterCreator | |
| CParallelBetaPairingPreferenceFilter | |
| CParallelBetaPairingPreferenceFilterCreator | |
| CSecondaryStructureCountFilter | |
| CSecondaryStructureCountFilterCreator | |
| CSecondaryStructureFilter | |
| CSecondaryStructureFilterCreator | |
| CSecondaryStructureHasResidueFilter | |
| CSecondaryStructureHasResidueFilterCreator | |
| CSheetTopologyFilter | |
| CSheetTopologyFilterCreator | |
| CStrandCurvatureByLevels | Newer version of filter used in Marcos & Basanta et al. 2017 |
| CStrandCurvatureByLevelsCreator | |
| CStrandHelixGeometryFilter | Another filter used in Marcos & Basanta et al. 2017 that needs to be updated |
| CStrandHelixGeometryFilterCreator | |
| ►Npotentials | |
| ►Nsspot | |
| CHSPairPotential | Secondary structure scoring cut from classic rosetta structure.h/structure.cc |
| CNatbiasHelicesSheetPotential | |
| CNatbiasHelixPairPotential | |
| CNatbiasSecondaryStructureEnergy | NatbiasSecondaryStructureEnergy |
| CNatbiasSecondaryStructureEnergyCreator | |
| CNatbiasStrandPairPotential | Secondary structure scoring cut from classic rosetta structure.h/structure.cc |
| CSSPairPotential | Secondary structure scoring cut from classic rosetta structure.h/structure.cc |
| CAACompositionEnergy | AACompositionEnergy |
| CAACompositionEnergyCreator | |
| CSetAACompositionPotential | |
| CSetAACompositionPotentialCreator | |
| CSetSecStructEnergies | |
| CSetSecStructEnergiesCreator | |
| ►Ntopology | |
| CBB_Pos | |
| CBetaAlphaBetaMotif | |
| CBetaAlphaBetaMotifSet | |
| CDimerPairing | |
| CDimerPairings | |
| CHelixPairing | |
| CHelixPairingSet | |
| CTripletID | |
| CHSSTriplet | |
| CHSSTripletSet | |
| CSheet | |
| CSheetSet | |
| CSheetFoldTypeManager | |
| CSS_Base | |
| CStrand | |
| CHelix | |
| CLoop | |
| CSS_Info2 | |
| CStrandPairing | |
| CStrandPairingSet | |
| CBluePrintBDR | |
| CBluePrintBDRCreator | |
| CCircularPermutation | |
| CCircularPermutationCreator | |
| CMatchResidues | |
| CMatchResiduesMover | |
| CMatchResiduesMoverCreator | |
| CMyAtom | |
| CNcontactsCalculator | |
| CResiduePair | |
| CSheetConstraintGenerator | |
| CSheetConstraintGeneratorCreator | |
| CSheetRemodelConstraintGenerator | Remodel constraint generator for adding sheet constraints |
| CSheetRemodelConstraintGeneratorCreator | |
| ►Nflexpack | |
| ►Nannealer | |
| CFlexbbSimAnnealer | |
| ►Ninteraction_graph | |
| CFlexbbIGFactory | |
| CFlexbbNode | |
| CFlexbbEdge | |
| CFlexbbInteractionGraph | |
| CFlexbbSparseMatrixIndex | |
| CMinimalistFlexbbNode | |
| CMinimalistFlexbbEdge | |
| CMinimalistFlexbbInteractionGraph | |
| COTFFlexbbNode | |
| COTFFlexbbEdge | |
| COTFFlexbbInteractionGraph | |
| CPrecomputedFlexbbInteractionGraph | |
| ►Nrotamer_set | |
| CFlexbbRotamerSet | |
| CFlexbbRotamerSets | |
| CFlexPacker | |
| COtherContextScoreFunction | |
| ►Nflexpep_docking | |
| CFlexPepDockingAbInitio | |
| CFlexPepDockingFlags | |
| CFlexPepDockingLowRes | |
| CFlexPepDockingPoseMetrics | |
| CFlexPepDockingProtocol | |
| CFlexPepDockingProtocolCreator | |
| ►Nfloppy_tail | |
| CFloppyTailMover | FloppyTail mover |
| ►Nflxbb | |
| CDesignTask | |
| CDesignTask_Normal | |
| CDesignTask_Layer | |
| CFilterStructs | |
| CFilterStructs_Packstat | |
| CFilterStructs_TotalCharge | |
| CFlxbbDesign | |
| CFlxbbDesignPack | |
| CFlxbbDesignCreator | |
| CInterlockAroma | |
| CInterlockAromaCreator | |
| CLayerDesignOperation | |
| CCombinedTaskOperation | |
| CLayerDesignOperationCreator | |
| ►Nfold_from_loops | |
| ►Nconstraint_generator | |
| CAutomaticSheetConstraintGenerator | Generates atom pair constraints for a set of residues from the current or reference pose |
| CAutomaticSheetConstraintGeneratorCreator | |
| CConstraintConditions | |
| CSegmentedAtomPairConstraintGenerator | Generates atom pair constraints for a set of residues from the current or reference pose |
| CSegmentedAtomPairConstraintGeneratorCreator | |
| ►Nfilters | |
| CConstraintFulfilmentFilter | |
| CConstraintFulfilmentFilterCreator | |
| CRmsdFromResidueSelectorFilter | |
| CRmsdFromResidueSelectorFilterCreator | |
| CScorePoseSegmentFromResidueSelectorFilter | |
| CScorePoseSegmentFromResidueSelectorFilterCreator | |
| ►Nmovers | |
| CAlignByResidueSelectorMover | Adds constraints generated by ConstraintGenerators to a pose |
| CAlignByResidueSelectorMoverCreator | |
| CDisplayPoseLabelsMover | Adds constraints generated by ConstraintGenerators to a pose |
| CDisplayPoseLabelsMoverCreator | |
| CLabelPoseFromResidueSelectorMover | Adds constraints generated by ConstraintGenerators to a pose |
| CLabelPoseFromResidueSelectorMoverCreator | |
| CMoveMapFactoryToNamedMoveMapMover | Adds constraints generated by ConstraintGenerators to a pose |
| CMoveMapFactoryToNamedMoveMapMoverCreator | |
| CNubInitioLoopClosureMover | Adds constraints generated by ConstraintGenerators to a pose |
| CNubInitioLoopClosureMoverCreator | |
| CReleaseConstraintFromResidueMover | Adds constraints generated by ConstraintGenerators to a pose |
| CReleaseConstraintFromResidueMoverCreator | |
| CResidueLabelsToPymolSelectionMover | Adds constraints generated by ConstraintGenerators to a pose |
| CResidueLabelsToPymolSelectionMoverCreator | |
| CSavePDBInfoMover | Adds constraints generated by ConstraintGenerators to a pose |
| CSavePDBInfoMoverCreator | |
| CSplitAndMixPoseMover | |
| CSplitAndMixPoseMoverCreator | RosettaScripts factory for NubInitio |
| ►Nselectors | |
| CConstraintResidueSelector | |
| CConstraintResidueSelectorCreator | |
| CCutpointResidueSelector | |
| CCutpointResidueSelectorCreator | |
| CProteinResidueSelector | |
| CProteinResidueSelectorCreator | |
| ►Nutils | |
| CNubSegment | |
| CNub | |
| CNubInitioMover | |
| CNubInitioMoverCreator | RosettaScripts factory for NubInitio |
| ►Nforge | |
| ►Nbuild | |
| CBridge | Connect two contiguous but disjoint sections of a Pose into one continuous section |
| CBuildInstruction | Tracks modifications to be made and is capable of making residue length changes on a Pose |
| CBuildManager | Container for managing BuildInstructions |
| CConnectRight | Instruction to connect one Pose onto the right side of another |
| CGrowLeft | Instruction to create an n-side extension |
| CGrowRight | Instruction to create a c-side extension |
| CInterval | Simple struct defining a closed interval of residues [left, right] where left <= right |
| CRelativeConnectRight | Version of ConnectRight instruction that depends upon results from another BuildInstruction |
| CRelativeSequencePosition | Computes a position wrt values in given BuildInstruction |
| CCountFromLeft | Count starting from interval().left in a BuildInstruction |
| CSegmentInsert | Insert an external segment flanked by new regions |
| CSegmentRebuild | Instruction to rebuild a segment |
| CSegmentSwap | Instruction to swap a segment with an external segment |
| ►Ncomponents | |
| CBDR | |
| CVarLengthBuild | Component that performs a protocol for user-specified variable length remodeling of protein backbone segments |
| ►Nconstraints | |
| CInverseRotamersCstGeneratorCreator | |
| CInverseRotamersRCG | RemodelConstraintGenerator that creates AmbiguousConstraints for all positions in a remodeled region towards a list of inverse rotamers. For every remodel position/inverse rotamer pair, there will be one MultiConstraint consisting of three CoordinateConstraints. the three coordinate constraints will be between: 1) remodel res N - invrot N coords 2) remodel res Ca - invrot Ca coords 3) remodel res Cb - invrot Cb coords All of these MultiConstraints are combined to form one AmbiguousConstraint. In effect, this RCG should bias the remodel trajectory such that one remodel residue backbone overlays with one inverse rotamer backbone |
| CInvrotTreeCstGeneratorCreator | |
| CInvrotTreeRCG | RemodelConstraintGenerator wrapper that makes the constraints generated by an InvrotTree available in VLB or XML |
| CNtoCConstraintGenerator | |
| CNtoCConstraintGeneratorCreator | |
| CRemoveRemodelCsts | |
| CRemoveRemodelCstsCreator | |
| ►Nremodel | |
| CRemodelAccumulator | |
| CRemodelConstraintGenerator | Pure virtual base class |
| CEXCN_RemoveCstsFailed | |
| CGenericRemodelConstraintGenerator | Generic remodel constraint generator for use with arbitrary ConstraintGenerators |
| CLineObject | |
| CRemodelData | |
| CRemodelDesignMover | |
| CRemodelEnzdesCstModule | |
| CRemodelGlobalFrame | |
| CRemodelLigandHandler | |
| CRemodelLoopMover | Loop modeling protocol based on routines from Remodel and EpiGraft packages in Rosetta++ |
| ►CRemodelMover | |
| Cinstruction_flags | |
| CRemodelMoverCreator | |
| CRemodelRotamerLinks | |
| CRemodelRotamerLinksCreator | |
| CRemodelWorkingSet | |
| CSegment | |
| CResidueVicinityCstGeneratorCreator | |
| CResidueVicinityInfo | Small helper class for the ResidueVicinityRCG |
| CResidueVicinityRCG | RemodelConstraintGenerator that creates AmbiguousMultiConstraints for all positions |
| ►Nfrag_picker | |
| ►Nnonlocal | |
| CNonlocalFrags | |
| CNonlocalPair | Nonlocal fragment pair |
| ►Nquota | |
| CABEGO_SS_Config | Read a config file for quota selector |
| CABEGO_SS_Map | Single pool used by quota selector |
| CABEGO_SS_Pool | Single pool used by quota selector |
| CQuotaCollector | A base class for collecting fragments |
| CQuotaConfig | Read a config file for quota selector |
| CQuotaPool | Single pool used by quota selector |
| Cquota_limits_sorter_biggest_first | |
| Cquota_limits_sorter_smallest_first | |
| Cmissing_fraction_sorter_biggest_first | |
| CQuotaSelector | Selects a given number of fragments using a quota scheme |
| CSecondaryStructurePool | Single pool used by quota selector |
| ►Nscores | |
| CABEGO_SS_Score | |
| CMakeABEGO_SS_Score | Maker class that produces a new ABEGO_SS_Score object |
| CAdaptiveScoreHistogram | |
| CAmbigCSScore | Scores a fragment by the root mean square deviation of Phi and Psi angles |
| CMakeAmbigCSScore | Maker class that produces a new AmbigCSScore object |
| CAtomBasedConstraintsScore | A base class for all scoring methods that need atom coordinates |
| CAtomPairConstraintsScore | Scores a fragment with a set of AtomPair constraints |
| CAtomPairConstraintsData | Holds data about a single distance constraint in the form AtomPairConstraintsScore needs |
| CMakeAtomPairConstraintsScore | Maker class that produces a new AtomPairConstraintsScore object |
| CBFactor | BFactor score counts identical residues |
| CMakeBFactor | Maker class that produces a new BFactor object |
| CCachingScoringMethod | |
| CConstScore | ConstScore adds a constant to the total score for each position |
| CMakeConstScore | Maker class that produces a new ConstScore object |
| CCSScore | Scores a fragment by the root mean square deviation of Phi and Psi angles |
| CMakeCSScore | Maker class that produces a new CSScore object |
| CDihedralConstraintsScore | Scores a fragment with a set of Dihedral constraints |
| CMakeDihedralConstraintsScore | Maker class that produces a new DihedralConstraintsScore object |
| CDisulfideDistance | Scores a fragment by the root mean square deviation of Phi and Psi angles |
| CMakeDisulfideDistance | Matker class that produces a new DisulfideDistance object |
| CDisulfideIdentity | DisulfideIdentity score counts identical residues |
| CMakeDisulfideIdentity | Maker class that produces a new DisulfideIdentity object |
| CFourAtomsConstraintData | Holds data about a single four-body constraint in the form usefull for InterbondAngleScore and DihedralConstraintsScore classes |
| CFragmentAllAtomCrmsd | Scores a fragment by its crmsd to the given reference structure |
| CMakeFragmentAllAtomCrmsd | Maker class that produces a new FragmentAllAtomCrmsd object |
| CFragmentChunkCrms | Scores a fragment by its tmscore to the given reference structure |
| CMakeFragmentChunkCrms | Maker class that produces a new FragmentChunkCrms object |
| CFragmentCrmsd | Scores a fragment by its crmsd to the given reference structure |
| CMakeFragmentCrmsd | Maker class that produces a new FragmentCrmsd object |
| CFragmentCrmsdResDepth | Scores a fragment by its crmsd to the given reference structure |
| CMakeFragmentCrmsdResDepth | Maker class that produces a new FragmentCrmsdResDepth object |
| CFragmentDME | Scores a fragment by its DME to the given reference structure |
| CMakeFragmentDME | Maker class that produces a new FragmentDME object |
| CFragmentScoreManager | Holds particular score components, weights and calculates the total score for a fragment candidate |
| CFragmentScoreMap | Holds all small scores (score components) for a given fragment |
| CFragmentScoringMethod | Fragment candidate score |
| CMakeFragmentScoringMethod | Fragment candidate |
| CGunnTuple | |
| CGunnCost | |
| CGunnCostScore | Scores a fragment by its crmsd to the given reference structure |
| CMakeGunnCostScore | Maker class that produces a new GunnCostScore object |
| CHydrophobicityProfileSimilarity | Scores a fragment by its hydrophobicity similarity |
| CMakeHydrophobicityProfileSimilarity | Maker class that produces a new HydrophobicityProfileSimilarity object |
| CHydrophobicitySimilarity | Scores a fragment by its hydrophobicity similarity |
| CMakeHydrophobicitySimilarity | Maker class that produces a new HydrophobicitySimilarity object |
| CInterbondAngleScore | Scores a fragment with a set of Dihedral constraints |
| CMakeInterbondAngleScore | Maker class that produces a new InterbondAngleScore object |
| CJCoupling | Scores a fragment by the JCouplings |
| CMakeJCoupling | Matker class that produces a new JCoupling object |
| CLAMBEGO_Similarity | Scores a fragment by torsion bin similarity |
| CMakeLAMBEGO_Similarity | Maker class that produces a new TorsionBin object |
| CMidPhiOut | Scores a fragment by the root mean square deviation of Phi and Psi angles |
| CMakeMidPhiOut | Matker class that produces a new MidPhiOut object |
| CMidPsiOut | Scores a fragment by the root mean square deviation of Psi and Psi angles |
| CMakeMidPsiOut | Matker class that produces a new MidPsiOut object |
| CPartialSecondarySimilarity | Scores a fragment by secondary structure similarity @detail The score for each position is P(H), P(L) or P(E) if a vall residue is within Helix, Loop or Extended secondary stucture element, respectively. P(H), P(L) and P(E) denotes the probability that a given residue in a query is within Helix, Loop or Extended secondary stucture element. The total score of a fragment is a simple sum of all positions; for N-mer fragment is a sum of N terms If P(H), P(L) and P(E) probabilities takes only 1.0 and 0.0 values, result of this scoring function should be the same as SecondaryIdentity, although the later one is faster |
| CMakePartialSecondarySimilarity | Maker class that produces a new PartialSecondarySimilarity object |
| CPCS_FragDistance | Scores a fragment by the root mean square deviation of Phi and Psi angles |
| CMakePCS_FragDistance | Matker class that produces a new PCS_FragDistance object |
| CPhi | Scores a fragment by its predicted phi similarity |
| CMakePhi | Maker class that produces a new Phi object |
| CPhiPsiRmsd | Scores a fragment by the root mean square deviation of Phi and Psi angles |
| CMakePhiPsiRmsd | Matker class that produces a new PhiPsiRmsd object |
| CPhiPsiSquareWell | Scores a fragment by the root mean square deviation of Phi and Psi angles |
| CMakePhiPsiSquareWell | Matker class that produces a new PhiPsiSquareWell object |
| CProfileScore | Fragment candidate |
| CMakeProfileScore | |
| CProfileScoreBlosum62 | Fragment candidate |
| CMakeProfileScoreBlosum62 | |
| CProfileScoreDistWeight | Fragment candidate |
| CMakeProfileScoreDistWeight | |
| CProfileScoreL1 | Fragment candidate |
| CMakeProfileScoreL1 | |
| CProfileScoreStructL1 | Fragment candidate |
| CMakeProfileScoreStructL1 | |
| CProfileScoreSubMatrix | Fragment candidate |
| CMakeProfileScoreSubMatrix | |
| CProlinePhiScore | ProlinePhiScore score counts identical residues |
| CMakeProlinePhiScore | Maker class that produces a new ProlinePhiScore object |
| CPsi | Scores a fragment by its predicted psi similarity |
| CMakePsi | Maker class that produces a new Psi object |
| CPValuedFragmentScoreManager | Holds particular score components, weights and calculates the total score for a fragment candidate |
| CRamaScore | RamaScore score counts identical residues |
| CMakeRamaScore | Maker class that produces a new RamaScore object |
| CRDCScore | Scores a fragment by its crmsd to the given reference structure |
| CMakeRDCScore | Maker class that produces a new RDCScore object |
| CScoreEValuator | Computes E-Value for a Profile object |
| CMakeScoreEValuator | |
| CSecondaryIdentity | SequenceIdentity score counts how many residues share the same secondary structure |
| CMakeSecondaryIdentity | Maker class that produces a new SecondaryIdentity object |
| CSecondarySimilarity | Scores a fragment by secondary structure similarity @detail The score for each position is P(H), P(L) or P(E) if a vall residue is within Helix, Loop or Extended secondary stucture element, respectively. P(H), P(L) and P(E) denotes the probability that a given residue in a query is within Helix, Loop or Extended secondary stucture element. The total score of a fragment is a simple sum of all positions; for N-mer fragment is a sum of N terms If P(H), P(L) and P(E) probabilities takes only 1.0 and 0.0 values, result of this scoring function should be the same as SecondaryIdentity, although the later one is faster |
| CMakeSecondarySimilarity | Maker class that produces a new SecondarySimilarity object |
| CSequenceIdentity | SequenceIdentity score counts identical residues |
| CMakeSequenceIdentity | Maker class that produces a new SequenceIdentity object |
| CSolventAccessibility | Scores a fragment by its predicted solvent accessibility |
| CMakeSolventAccessibility | Maker class that produces a new SolventAccessibility object |
| CTalosSSSimilarity | Scores a fragment by secondary structure similarity @detail The score for each position is P(H), P(L) or P(E) if a vall residue is within Helix, Loop or Extended secondary stucture element, respectively. P(H), P(L) and P(E) denotes the probability that a given residue in a query is within Helix, Loop or Extended secondary stucture element. The total score of a fragment is a simple sum of all positions; for N-mer fragment is a sum of N terms If P(H), P(L) and P(E) probabilities takes only 1.0 and 0.0 values, result of this scoring function should be the same as SecondaryIdentity, although the later one is faster |
| CMakeTalosSSSimilarity | Maker class that produces a new TalosSSSimilarity object |
| CTorsionBinSimilarity | Scores a fragment by torsion bin similarity |
| CMakeTorsionBinSimilarity | Maker class that produces a new TorsionBin object |
| CBestTotalScoreSelector | Selects a given number of fragments using a quota scheme |
| CBoundedPriorityQueue | |
| CBoundedCollector | Keeps the N best fragments candidates for the final selection |
| CBoundedCollector_CompareTotalScore | |
| CCandidatesCollector | A base class for collecting fragments |
| CCompareQueryPosition | Comparator based on a sequence position in a query |
| CCompareTotalScore | Comparator based on the total score of fragments |
| CCompareByScoreCombination | Comparator based on the linear combination of some score components |
| CCompareScoreComponent | Comparator based on one of the score components calculated for fragments |
| CCompositeFragmentSelector | Selects fragments by running several selectors |
| CContact | |
| CContactCounts | |
| CCS2ndShift | |
| CCSTalosIO | |
| CCustomScoreSelector | Selects a given number of fragments using a quota scheme |
| CDiversifyCrmsdByClustering | Selects fragments by running several selectors |
| CDiversifyCrmsdSelector | Selects fragments by running several selectors |
| CDiversifyDihedralsSelector | Selects fragments by running several selectors |
| CFragmentCandidate | Vector candidate says which X-mer from vall fits to a query sequence |
| CFragmentComparatorBase | |
| CQuotaDebug | |
| CFragmentPicker | The core of the fragment picking machinery |
| CFragmentScoreFilter | –brief– |
| CFragmentScoreFilterCreator | |
| CFragmentSelectingRule | Selects a given number of fragments just by selecting the best ones |
| CGrabAllCollector | Keeps all fragments candidates for the final selection |
| CJCouplingIO | |
| CLAMBEGO_IO | |
| CLazySortedVector1 | |
| CPdbIdChunkFilter | |
| CAllowPdbIdFilter | Accepts a chunk based on the pdb id of the source protein |
| CDenyPdbIdFilter | Denies a chunk based on the pdb id of the source protein |
| CPhiPsiTalosIO | |
| CSidechainContactDistCutoff | Defines sidechain contact distance cutoffs |
| CTorsionBinIO | |
| CVallChunk | Chunk of residues extracted from a vall |
| CVallChunkFilter | Base class for a chunk filtering mechanism |
| CVallProvider | Vector of vall chunks |
| CVallResidue | Class for managing a line of the Vall fragment library |
| ►Nfrags | |
| CRMSVallData | |
| CTorsionFragment | Class for single piece of torsion fragment |
| CSingleResidueTorsionFragmentLibrary | Class for collection of fragments for a single residue position |
| CTorsionFragmentLibrary | Class for classic Rosetta fragment library |
| CFragLib | |
| CTorsionFragmentMover | |
| CVallData | |
| ►Ngeneralized_kinematic_closure | |
| ►Nfilter | |
| CGeneralizedKICfilter | |
| ►Nperturber | |
| CGeneralizedKICperturber | |
| ►Nselector | |
| CGeneralizedKICselector | |
| CGeneralizedKIC | |
| CGeneralizedKICCreator | |
| ►Ngenetic_algorithm | |
| CEntityElement | Entity element |
| CEntityElementCreator | Entity element creator |
| CEntityElementFactory | The EntityElementFactory is responsible for instantiating entity elements from strings |
| CEntityElementRegistrator | |
| CEntity | |
| CVec1Hash | |
| CEntityElementsEqual | |
| CEntityRandomizer | |
| CDiscreteRandomizer | |
| CPositionSpecificRandomizer | Different set of choices at each position in Entity's traits |
| CFitnessFunction | |
| CGeneticAlgorithmBase | |
| CGeneticAlgorithm | |
| CMutate1Randomizer | |
| ►Nglycan_docking | |
| CGlycanDockProtocol | TODO |
| CGlycanDockProtocolCreator | |
| ►Nglycopeptide_docking | |
| CGlycopeptideDockingFlags | Holds flags, options, and pose variables for the Glycosylation Protocol |
| CGlycopeptideDockingHighResRefinement | High resolution refinement of glycosyltransferase substrate |
| CGlycopeptideDockingLowResRefinement | Low resolution refinement of substrate |
| CGlycopeptideDockingProtocol | A protocol to predict glycosylation and elongation of glycans |
| CGlycopeptideDockingProtocolCreator | |
| ►Ngrafting | |
| ►Nsimple_movers | |
| CDeleteRegionMover | Delete a region of a pose. Mover Wrapper to grafting utility function |
| CDeleteRegionMoverCreator | |
| CInsertPoseIntoPoseMover | Insert a whole pose into another. Loops, linkers, whaterver. No modeling here. Wrapper to utility function insert_pose_into_pose |
| CInsertPoseIntoPoseMoverCreator | |
| CKeepRegionMover | Keep a contiguous region of a pose, delete the rest. Re-detect disulfides |
| CKeepRegionMoverCreator | |
| CReplaceRegionMover | Replace a region of residues with another from a pose piece. Wrapper to grafting utility function |
| CReplaceRegionMoverCreator | |
| CAnchoredGraftMover | Grafting class adapted from Steven Lewis' pose_into_pose algorithm |
| CAnchoredGraftMoverCreator | |
| CCCDEndsGraftMover | General purpose Grafting class which: 1) superimposes the insert onto the scaffold using any overhang residues, 2) Inserts the pose piece into the scaffold pose, deleting any overhang residues or residues in the region the isertion will occur between. 3) Cycles of: a) SmallMover for sampling (Can be disabled)) b) CCDs both terminal ends of the scaffold using flexibility settings or movemap To close the graft. c) MinMover to help close the graft through chainbreak terms d) Closure check - will return if closed (Can be disabled) d) MonteCarlo Boltzmann criterion |
| CCCDEndsGraftMoverCreator | |
| CGraftMoverBase | Fairly abstract base class for GraftMover classes |
| ►Nhbnet | |
| CConstrainHBondNetworkCreator | |
| CHBondResStruct | Struct that represents minimal info for residue in an h-bond network |
| Ccompare_hbond_residues | |
| Ccompare_hbond_resnums | |
| CHBondNetStruct | Struct that contains info needed for hbond networks |
| Ccompare_net_vec | |
| Ccompare_by_x | |
| CDecoratedNetworkState | |
| CHBNet | |
| CHBNetCreator | |
| CHBNetScore | |
| CHBNetScoreFilterCreator | |
| CHBNetStapleInterface | |
| CHBNetStapleInterfaceCreator | |
| CConstrainHBondNetwork | Sets allowed residue types to constrain HBNet residues in downstream design; add this Taskop to any design movers downstream of HBNet |
| CNetworkState | |
| CNetworkStateScoreComparator | |
| CUnsatSelector | A ResidueSelector that selects alpha-amino acids that are either in the positive phi or negative phi region of Ramachandran space (depending on user preferences) |
| CUnsatSelectorCreator | |
| ►Nhelical_bundle | |
| ►Nparameters | |
| CBundleParameters | Parameters class, used to store sets of parameters for parametric backbone generation |
| CBundleParametersSet | BundleParametersSet class, used to store sets of parameters for parametric helical bundle generation |
| COmegaBundleParameter | A class for the omega paremeter, derived from the generic RealValuedParameter class |
| CBackboneGridSampler | |
| CBackboneGridSamplerCreator | |
| CBackboneGridSamplerHelper | BackboneGridSamplerHelper class, which stores options for the PerturbBundle mover |
| CBundleGridSampler | |
| CBundleGridSamplerCreator | |
| CBundleGridSamplerHelper | BundleGridSamplerHelper class, which stores options for the PerturbBundle mover |
| CBundleParametrizationCalculator | BundleParametrizationCalculator class, used for parametric helical bundle backbone generation |
| CBundleReporterFilter | |
| CBundleReporterFilterCreator | |
| CFitSimpleHelix | |
| CFitSimpleHelixCreator | |
| CFitSimpleHelixMultiFunc | Multifunction class for fitting a simple (straight) helix to the Crick parameters |
| CMakeBundle | |
| CMakeBundleCreator | |
| CMakeBundleHelix | |
| CMakeBundleHelixCreator | |
| CPerturbBundle | |
| CPerturbBundleCreator | |
| CPerturbBundleHelix | |
| CPerturbBundleHelixCreator | |
| ►Nhelical_bundle_predict | |
| CHBP_FinalFullatomRefinementMoveGenerator | A class to generate ParsedProtocols for the final full-atom refinement step |
| CHBP_HelixCoilMoveGenerator | A class for a module to generate ParsedProtocols for the next move in a Monte Carlo trajectory, based on the current state of the pose. This version uses helix-coil transition theory to nucleate and extend helices |
| CHBP_MoveGenerator | A base class for a module to generate ParsedProtocols for the next move in a Monte Carlo trajectory, based on the current state of the pose |
| CHBP_SigmoidalTemperatureScheduleGenerator | A class to generate a temperature ramping scheme for a simulated annealing trajectory. This version ramps sigmoidally |
| CHBP_TemperatureScheduleGenerator | A base class to generate a temperature ramping scheme for a simulated annealing trajectory |
| CHBPHelixParameters | Helical parameters stored by the HBPHelix class |
| CHBPHelix | An individual helix. This class stores start and end positions, plus helical parameters |
| CHBPHelixAssignments | A class for storing the helix assignments for a pose. This can represent those proposed from an input file, or those at the current state of a trajectory |
| CHelicalBundlePredictApplicationOptions | Options for the application |
| CHelicalBundlePredictApplication | The meat-and-potatoes for the helical_bundle_predict application, used to predict structures of helical bundles made from canonical or noncanonical building-blocks |
| ►Nhelix_capper | |
| CHelixNCapperMover | |
| ►Nhotspot_hashing | |
| ►Nmovers | |
| CPlaceProbeMover | |
| CPlaceSurfaceProbe | |
| CPlaceSurfaceProbeCreator | |
| CHotspotStub | |
| CHotspotStubSet | |
| CVectorPair | |
| CSearchPattern | |
| CConstPattern | |
| CTestPattern | |
| CLSMSearchPattern | |
| CRotationSearchPattern | |
| CSphericalRotationSearchPattern | |
| CCartesianSearchPattern | |
| CPartitionedSearchPattern | |
| CComposeSearchPatterns | |
| CSearchPatternTransform | |
| CSearchPatternExpansion | |
| CSearchPatternRotSetOp | |
| CAddSearchPatternRotSetOp | |
| CSICPatternAtTransform | |
| CStubGenerator | |
| CSurfaceSearchPattern | |
| ►Nhybridization | |
| CAllResiduesChanged | (helper) functor class which keeps track of initial phi/psi values. @detail calls of operator ( pose ) compare the initial phi/psi values |
| CBackboneTorsionPerturbation | |
| CBackboneTorsionPerturbationCreator | |
| CBackboneTorsionSampler | |
| CBackboneTorsionSamplerCreator | |
| CCartesianHybridize | |
| CCartesianSampler | |
| CChunkTrialMover | |
| CDDomainParse | |
| CDomainAssembly | |
| ChConvergenceCheck | |
| CFoldTreeHybridize | |
| CFragmentBiasAssigner | |
| CHybridizeFoldtreeDynamic | |
| CdetailedControlsTagSetting | |
| CHybridizeProtocol | |
| CHybridizeProtocolCreator | |
| CCartesianSamplerCreator | |
| CInsertChunkMover | |
| CMRMover | |
| CTemplateHistory | |
| CTMalign | |
| CWeightedFragmentSmoothTrialMover | |
| CWeightedFragmentTrialMover | |
| ►Nhydrate | |
| CHydrate | |
| ►Nidealize | |
| CIdealizeMover | Mover class for transforming a Pose to ideal bonds of the given Pose. The idea is that this Mover stochastically picks a move-able position, forces that position into ideal geometry, and tries to use minimization to bring the coordinates back to very near their starting points |
| CIdealizeMoverCreator | |
| ►Nindel | |
| CIndelOptimizationMover | |
| ►Nindexed_structure_store | |
| ►Nfilters | |
| CFragmentLookupFilter | |
| CFragmentLookupFilterCreator | |
| ►Nmovers | |
| CDirectSegmentLookupMover | |
| CDirectSegmentLookupMoverCreator | |
| CSegmentSequenceProfileMover | |
| CSegmentSequenceProfileMoverCreator | |
| ►Nsearch | |
| CStructureData | |
| CStructureDatabase | |
| CStructurePairQuery | |
| CStructureSingleQuery | |
| CStructurePairQueryResult | |
| CStructureSingleQueryResult | |
| CPairQuerySummaryStatistics | |
| CSingleQuerySummaryStatistics | |
| CPairQueryExecutor | |
| CSingleQueryExecutor | |
| CBinaryFragmentStoreBackend | |
| CStructureEntry | |
| CResidueBackboneEntry | |
| CResidueSidechainEntry | |
| CResidueOrientEntry | |
| CResidueEntry | |
| CDirectSegmentLookupConfig | |
| CDirectSegmentLookupResult | |
| CDirectSegmentLookup | |
| CDirStructureStoreBackend | |
| CFragmentLookupResult | |
| CFragmentLookup | |
| CFragmentSpecification | |
| CFragmentStore | |
| C_map_string_vector_Size | |
| C_map_string_vector_Real | |
| C_map_string_vector_vector_Real | |
| CFragmentStoreManager | |
| CFragmentStoreProvider | |
| CStructureRecord | |
| CJSONStructureStoreBackend | |
| CPoseUtilityPlaceholder | |
| CSegmentSequenceProfileConfig | |
| CSegmentSequenceProfileResult | |
| CSegmentSequenceProfile | |
| CSilentStructureStoreBackend | |
| CBackboneStub | |
| CBackboneStubVectorRMSDComparator | |
| CSSHashedFragmentStore | |
| CStructureStore | |
| CStructureStoreManager | |
| CStructureStoreProvider | |
| ►Ninverse_folding | |
| CMIFSTProbabilitiesMetric | A PerResidueProbabilitiesMetric that stores amino acid probabilities predicted by the MIF-ST model |
| CMIFSTProbabilitiesMetricCreator | |
| ►Njd2 | |
| ►Narchive | |
| CAbstractArchiveBase | Tags used to tag messeges sent by MPI functions used to decide whether a slave is requesting a new job id or flagging as job as being a bad input |
| CArchiveBase | |
| CEXCN_Archive | |
| CBatch | Batch represents a directory "batch_000xxx" that contains flags, broker-setup input-files and output-files @detail the Batch-class helps to get the correct file- and directory names, and has some knowledge about its status: finished, unfinished ... decoys already processed by Archive |
| CBaseArchiveManager | ArchiveManager is responsible for communication with JobDistributor and organization of Batches and returning decoys @detail he owns an Archive (AbstractArchiveBase) that will be handed the decoys and is asked to generate_batch() if the QUEUE_EMPTY |
| CArchiveManager | ArchiveManager is responsible for communication with JobDistributor and organization of Batches and returning decoys @detail he owns an Archive (AbstractArchiveBase) that will be handed the decoys and is asked to generate_batch() if the QUEUE_EMPTY |
| CSortPredicate | |
| CEvaluatedArchive | Tags used to tag messeges sent by MPI functions used to decide whether a slave is requesting a new job id or flagging as job as being a bad input |
| ►CMPIArchiveJobDistributor | JobDistributor for the iterative ArchiveManager/Archive Framework |
| CCompletionMessage | CompletionMessage(s) are send to the ArchiveManager whenever more than nr_notify decoys have been finished / or when the full batch is finished |
| CNormalizedEvaluatedArchive | Tags used to tag messeges sent by MPI functions used to decide whether a slave is requesting a new job id or flagging as job as being a bad input |
| CVarianceStatisticsArchive | |
| CAtomTreeDiffJobInputter | |
| CAtomTreeDiffJobInputterCreator | |
| CAtomTreeDiffJobOutputter | |
| CAtomTreeDiffJobOutputterCreator | |
| CBatchJobInputter | |
| CBOINCJobDistributor | |
| CEmptyPoseJobInputter | |
| CEmptyPoseJobInputterCreator | |
| CEnsembleJobInputter | A Job Inputter for distributing a job based on a set of input structures that make up an ensemble Two modes. Seed Ensemble and Grid Ensemble |
| CEnsembleJobInputterCreator | |
| CFileJobOutputter | |
| CFileSystemJobDistributor | |
| CInnerJob | |
| CInnerMultiThreadingJob | |
| CJob | |
| CJD2Failure | A catchable exception which represents that some issue has occured during the JD2 run. This isn't an error in itself, but represents that JD2 caught another error and then continued, raising this exception after the remaining jobs had a chance to continue |
| CJobDistributor | |
| CJobDistributorFactory | |
| CJobInputter | The JobInputter class is responsible for |
| CJobInputterCreator | Abstract base class for a JobInputter factory; the Creator class is responsible for creating a particular mover class |
| CJobInputterRegistrator | This templated class will register an instance of an JobInputterCreator (class T) with the JobInputterFactory. It will ensure that no JobInputterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CJobInputterFactory | |
| CJobOutputter | |
| CJobOutputterCreator | Abstract base class for a JobOutputter factory; the Creator class is responsible for creating a particular mover class |
| CJobOutputterRegistrator | This templated class will register an instance of an JobOutputterCreator (class T) with the JobOutputterFactory. It will ensure that no JobOutputterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CJobOutputterFactory | |
| CJobOutputterObserver | |
| CJobsContainer | |
| CLargeNstructJobInputter | |
| CLargeNstructJobInputterCreator | |
| CLazySilentFileJobInputter | |
| CLazySilentFileJobInputterCreator | |
| CmmCIFJobOutputter | |
| CmmCIFJobOutputterCreator | |
| CmmtfJobOutputter | |
| CmmtfJobOutputterCreator | |
| CMpiFileBuffer | |
| CWriteOut_MpiFileBuffer | |
| CDebugOut_MpiFileBuffer | |
| CMPIFileBufJobDistributor | |
| CMPIMultiCommJobDistributor | |
| CMPIWorkPartitionJobDistributor | |
| CMPIWorkPoolJobDistributor | |
| CMultiThreadingJob | |
| CNoOutputJobOutputter | |
| CNoOutputJobOutputterCreator | |
| CPDBJobInputter | |
| CPDBJobInputterCreator | |
| CPDBJobOutputter | |
| CPDBJobOutputterCreator | |
| CPoseInputStreamJobInputter | |
| CPoseInputStreamJobInputterCreator | |
| CRNA_DeNovoJobOutputter | |
| CRNA_DeNovoJobOutputterCreator | |
| CScoreOnlyJobOutputter | |
| CScoreOnlyJobOutputterCreator | |
| CScreeningJobInputter | |
| CScreeningJobInputterCreator | |
| CSerializedPoseJobInputter | |
| CSerializedPoseJobInputterCreator | |
| CSerializedPoseJobOutputter | |
| CSerializedPoseJobOutputterCreator | |
| CShuffleFileSystemJobDistributor | |
| CSilentFileJobInputter | |
| CSilentFileJobInputterCreator | |
| CSilentFileJobOutputter | |
| CCompareTags | |
| CSilentFileJobOutputterCreator | |
| CSingleFileBuffer | |
| CWriteFileSFB | |
| CVectorPoseJobDistributor | Job distributor subclass for running RECON multistate design Takes in all input poses from the command line and passes them to any mover or filter that derives from VectorPoseMover or VectorPoseFilter, meaning that it is able to receive and operate on multiple poses simultaneously. Only accessible through recon application |
| CwwPDBJobOutputter | |
| ►Njd3 | |
| ►Nchunk_library | |
| CChunkLibraryInnerLarvalJob | |
| CChunkLibraryPreliminaryLarvalJob | |
| CChunkLibraryJobQueen | The ChunkLibraryJobQueen is meant to handle the most common form of Rosetta jobs where a protocol is applied to a single input structure to generate a single output structure. Most JobQueens in Rosetta will to derive from this JobQueen. To make the process of deriving new JobQueens easy, this class's API has been carefully designed to be easy to work with and the class itself has been designed to do as much heavy lifting as possible and to leave only the responsibilities that the ChunkLibraryJobQueen could not perform to the derived classes |
| CMoverAndChunkLibraryJob | |
| CChunkLibraryJobResult | |
| ►Nchunk_library_inputters | |
| CChunkLibraryInputSource | The ChunkLibraryInputSource is a small class for holding data about the starting Pose for a Job and where it comes from (i.e. which of the ChunkLibraryInputters claims responsibility for creating a Pose for this instance). The "input_tag" is a string description of the input source and will be used as the "job_tag" to control output – the input tag should not include the file extension. It is perfectly reasonable for complex ChunkLibraryInputters to subclass from ChunkLibraryInputSource to tuck more complex data in the ChunkLibraryInputSource, though, the string-string map ought to provide considerable flexibility in storing data without deriving new subclasses |
| CChunkLibraryInputter | The ChunkLibraryInputter is responsible for reading from the command line a set of structures that are each to be run through a protocol, where each input struture will be the starting point for some number of jobs (where that number is at the JobQueen's discretion). The ChunkLibraryInputter is responsible for two things: |
| CChunkLibraryInputterCreator | |
| CChunkLibraryInputterRegistrator | This templated class will register an instance of an ChunkLibraryInputterCreator (class T) with the ChunkLibraryInputterFactory. It will ensure that no ChunkLibraryInputterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CChunkLibraryInputterFactory | |
| CPDBChunkLibraryInputter | This is the simplest implementation of ChunkLibraryInputter, which reads from -s/-l and PDB files |
| CPDBChunkLibraryInputterCreator | |
| ►Ndag_node_managers | |
| CEvenlyPartitionedNodeManager | |
| CNodeManager | |
| CResultElements | |
| CNodeManagerStorageMatrix | |
| CSimpleNodeManager | |
| ►Ndeallocation | |
| CDeallocationMessage | DeallocationMessage class provides an opportunity for one JobQueen to communicate with a remote JobQueen in a parallelization-independent fashion – that is, the parallel JobDistributor (be it MPI, or perhaps Hadoop) is responsible for delivering the DeallocationMessages to the remote JobQueens. In particular, they serve the role of allowing a JobQueen to deallocate resources that are no longer needed. As of the time this class was dreamed up, the JobDistributor makes no guarantee about the regularity with which it queries the JobQueen on the head node for DeallocationMessages, and the communication of DeallocationMessages is uni-directional: this system is not designed to let JobQueens on freely communicate between themselves, though, such a system would obviously have its merits |
| CInputPoseDeallocationMessage | InputPoseDeallocationMessage class holds the output that's generated by a Job over the course of its execution. The InputPoseDeallocationMessage is handed by the JobQueen to the JobOutputWriter objects, each of which have the opportunity to pull data out of the InputPoseDeallocationMessage class |
| CResourceDeallocationMessage | ResourceDeallocationMessage class is used so that a JobQueen that knows a resource will no longer be needed can communicate this knowledge to other JobQueens running remotely so that they can deallocate that resource |
| ►Nfull_model | |
| CFullModelInnerLarvalJob | |
| CFullModelPreliminaryLarvalJob | |
| CFullModelJobQueen | The FullModelJobQueen is meant to handle the most common form of Rosetta jobs where a protocol is applied to a single input structure to generate a single output structure. Most JobQueens in Rosetta will to derive from this JobQueen. To make the process of deriving new JobQueens easy, this class's API has been carefully designed to be easy to work with and the class itself has been designed to do as much heavy lifting as possible and to leave only the responsibilities that the FullModelJobQueen could not perform to the derived classes |
| ►Nfull_model_inputters | |
| CFullModelInputSource | The FullModelInputSource is a small class for holding data about the starting Pose for a Job and where it comes from (i.e. which of the FullModelInputters claims responsibility for creating a Pose for this instance). The "input_tag" is a string description of the input source and will be used as the "job_tag" to control output – the input tag should not include the file extension. It is perfectly reasonable for complex FullModelInputters to subclass from FullModelInputSource to tuck more complex data in the FullModelInputSource, though, the string-string map ought to provide considerable flexibility in storing data without deriving new subclasses |
| CFullModelInputter | The FullModelInputter is responsible for reading from the command line a set of structures that are each to be run through a protocol, where each input struture will be the starting point for some number of jobs (where that number is at the JobQueen's discretion). The FullModelInputter is responsible for two things: |
| CFullModelInputterCreator | |
| CFullModelInputterRegistrator | This templated class will register an instance of an FullModelInputterCreator (class T) with the FullModelInputterFactory. It will ensure that no FullModelInputterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CFullModelInputterFactory | |
| CPDBFullModelInputter | This is the simplest implementation of FullModelInputter, which reads from -s/-l and PDB files |
| CPDBFullModelInputterCreator | |
| CSilentFileFullModelInputter | |
| CSilentFileFullModelInputterCreator | |
| ►Njob_distributors | |
| CJobExtractor | |
| CVanillaJobDistributor | The VanillaJobDistributor is a single process running by itself, running a single thread |
| ►Njob_results | |
| CPoseJobResult | A typical PoseJobResult. Stores a pose |
| ►Njob_summaries | |
| CEnergyJobSummary | A JobSummary that simply stores the energy from a job |
| CStandardPoseJobSummary | A JobSummary that extracts the energy and SimpleMetricData from a pose. The Job object should score the pose and run any SimpleMetrics desired |
| ►Njobs | |
| CMoverJob | A Generic Mover(andPose)Job. Can be subclassed for derived jobs |
| ►Noutput | |
| CMultipleOutputSpecification | The MultipleOutputSpecification |
| CMultipleOutputter | The MultipleOutputter class is a vector of ResultOutputters. It should be used alongside the MultipleOutputSpecification class, which is a vector of ResultSpecifications and will hand each ResultSpecification in that vector to the corresponding ResultOutputter in its own vector |
| COutputSpecification | The OutputSpecification |
| CResultOutputter | The ResultOutputter |
| ►Npose_inputters | |
| CPDBPoseInputter | This is the simplest implementation of PoseInputter, which reads from -s/-l and PDB files. These can be any Protein Data Bank file type: .pdb, .cif, .mmtf |
| CPDBPoseInputterCreator | |
| CPoseInputSource | The PoseInputSource is a small class for holding data about the starting Pose for a Job and where it comes from (i.e. which of the PoseInputters claims responsibility for creating a Pose for this instance). The "input_tag" is a string description of the input source and will be used as the "job_tag" to control output – the input tag should not include the file extension. It is perfectly reasonable for complex PoseInputters to subclass from PoseInputSource to tuck more complex data in the PoseInputSource, though, the string-string map ought to provide considerable flexibility in storing data without deriving new subclasses |
| CPoseInputter | The PoseInputter is responsible for reading from the command line a set of structures that are each to be run through a protocol, where each input struture will be the starting point for some number of jobs (where that number is at the JobQueen's discretion). The PoseInputter is responsible for two things: |
| CPoseInputterCreator | |
| CPoseInputterRegistrator | This templated class will register an instance of an PoseInputterCreator (class T) with the PoseInputterFactory. It will ensure that no PoseInputterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CPoseInputterFactory | |
| CSilentFilePoseInputter | |
| CSilentFilePoseInputterCreator | |
| ►Npose_outputters | |
| CDeNovoSilentFilePoseOutputter | The DeNovoSilentFilePoseOutputter |
| CDeNovoSilentFilePoseOutputterCreator | |
| CmmTFPoseOutputSpecification | The mmTFPoseOutputSpecification giving all of the details of how to write a Pose out to disk in PDB format |
| CmmTFPoseOutputter | The mmTFPoseOutputter |
| CmmTFPoseOutputterCreator | |
| CPDBPoseOutputSpecification | The PDBPoseOutputSpecification giving all of the details of how to write a Pose out to disk in PDB format |
| CPDBPoseOutputter | The PDBPoseOutputter |
| CPDBPoseOutputterCreator | |
| CPoseOutputSpecification | The PoseOutputSpecification |
| CPoseOutputter | The PoseOutputter |
| CPoseOutputterCreator | |
| CPoseOutputterRegistrator | This templated class will register an instance of an PoseOutputterCreator (class T) with the PoseOutputterFactory. It will ensure that no PoseOutputterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CSecondaryPoseOutputterRegistrator | This templated class will register an instance of an SecondaryPoseOutputterCreator (class T) with the PoseOutputterFactory. It will ensure that no SecondaryPoseOutputterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CPoseOutputterFactory | |
| CScoreFileOutputSpecification | The ScoreFileOutputSpecification giving all of the details of how to write a Pose out to disk in PDB format |
| CScoreFileOutputter | The ScoreFileOutputter |
| CScoreFileOutputterCreator | |
| CSecondaryPoseOutputter | The SecondaryPoseOutputter |
| CSecondaryPoseOutputterCreator | |
| CSilentFilePoseOutputSpecification | The SilentFilePoseOutputSpecification giving all of the details of how to write a Pose out to disk as a silent file |
| CSilentFilePoseOutputter | The SilentFilePoseOutputter |
| CSilentFilePoseOutputterCreator | |
| ►Nstandard | |
| CPreliminaryLarvalJob | A PreliminaryLarvalJob is what gets created from the command-line options job_definition file for each input and specified job in the Job Definition file |
| CPreliminaryLarvalJobTracker | A class for tracking the progress of all PreliminaryLarvalJobs. This tracking is partially responsible for deallocation of the input poses |
| CStandardInnerLarvalJob | |
| CStandardJobQueen | The StandardJobQueen is meant to handle the most common form of Rosetta jobs where a protocol is applied to a single input structure to generate a single output structure. Most JobQueens in Rosetta will to derive from this JobQueen. To make the process of deriving new JobQueens easy, this class's API has been carefully designed to be easy to work with and the class itself has been designed to do as much heavy lifting as possible and to leave only the responsibilities that the StandardJobQueen could not perform to the derived classes |
| CCompletedJobOutput | Each Job will return a JobStatus and a list of JobSummary/JobResult pairs. A pair's index in th job_results vector is used as its identifier for when the JobResult is used as input for another job, or when it is to be output by the JobQueen |
| CInnerLarvalJob | |
| CInputSource | The InputSource is a small class for holding data about the starting Pose for a Job and where it comes from (i.e. which of the Inputters claims responsibility for creating a Pose for this instance). The "input_tag" is a string description of the input source and will be used as the "job_tag" to control output – the input tag should not include the file extension. It is perfectly reasonable for complex Inputters to subclass from InputSource to tuck more complex data in the InputSource, though, the string-string map ought to provide considerable flexibility in storing data without deriving new subclasses |
| CJob | protocols::jd3::Job, which is created by the JobQueen from a LarvalJob, is responsible for executing some protocol from beginning to end in its "run" method. It must write all of its output data to the JobResult object that it creates and returns |
| CJobDirectedNode | A node to use in JobDigraphs that holds information about how much work has completed for the set of jobs that it represents |
| CJobDirectedEdge | A run-of-the-mill directed edge to use in JobDigraphs |
| CJobDigraph | A Digraph for storing the relationship between groups of jobs, so that each node in this graph represents a group of jobs, and if the outputs from one group are inputs to another group, then a directed edge from the first group to the second group will be in the graph. The JobDistributor will run all of the jobs in the first group before any of the jobs in the second group will start |
| CJobDigraphUpdater | This class defines the set of operations that a JobQueen can perform to update the JobDigraph that she originally gave to the JobDistributor. In particular, the JobQueen may only update the JobDigraph by adding new nodes to the graph (which will receive incrementally larger indexes) and then adding edges to the graph such that the head node for the edge must land on one of the newly added nodes in the graph. The JobDistributor will hand the JobQueen a JobDigraphUpdater through the JobQueen's update_job_digraph method, and in this call, the JobQueen may add as many nodes as she wishes, and as many edges that land on those new nodes, but when the method exits, those nodes petrify: the JobQueen may not add any more edges that land on those new nodes |
| CJobDistributor | OK – I don't know what the division of labor between a JobDistributor base class and a JobDistributor subclass, so I'm just going to start writing a simple JobDistributor and then follow it by writing an MPI job distributor and then I'll see what shakes out |
| CJobDistributorFactory | |
| CJGJobNode | |
| Ccompare_job_nodes | |
| CJGResultNode | |
| ►CJobGenealogist | |
| CJGJobNodeOP_hash | |
| CJGResultNodeOP_hash | |
| CJobOutputIndex | The JobOutputIndex holds the four relevant counts for describing the "name" for an output (e.g. a Pose) that is going to be written out to disk |
| CJQKey | This key can be used by to delineate other classes to store/maintain data used by the JQ |
| CJobQueen | The JobQueen class (think of a queen bee) has quite a few responsibilities: |
| CJobResult | JobResult class holds the output that's generated by a Job over the course of its execution. The JobResult is handed by the JobQueen to the JobOutputWriter objects, each of which have the opportunity to pull data out of the JobResult class |
| CJobSummary | JobSummary class holds the output that's generated by a Job over the course of its execution. The JobSummary is handed by the JobQueen to the JobOutputWriter objects, each of which have the opportunity to pull data out of the JobSummary class |
| CJobTracker | A simple class for tracking job progress within JD3 |
| CLarvalJob | protocols::jd3::LarvalJob, which is initialized by the JobQueen, during its intitialize_job_list method, is an immature form of the. It is matured into a Job that can be run by the JobQueen's mature_job method. A LarvalJob may be one of several LarvalJobs that have the same inputs, but differ in their random number seed (i.e. replicates); two jobs that share the same input are meant to point to the same "InnerLarvalJob" to avoid spending too much memory representing identical data |
| ►Njobdist | |
| CBaseJobDistributor | Coordinates processing of jobs across multiple Rosetta processes |
| CAtomTreeDiffJobDistributor | Distributor for use with atomtree_diff silent files |
| CPlainPdbJobDistributor | Distributor for use with plain old PDB files. Use is strongly discouraged in production environments! |
| CPlainRawJobDistributor | Distributor for use with raw files |
| CPlainSilentFileJobDistributor | Distributor for use with silent files |
| CBasicJob | Each Job object describes a particular input to Rosetta |
| ►Njumping | |
| CDisulfTemplate | |
| CBaseDisulfPairingLibrary | |
| CDisulfPairingLibrary | |
| CStandardDisulfPairingLibrary | The StandardDisulfPairingsLibrary initializes itself in its constructor from the sampling/disulfide_jump_database_wip.dat file in the database. Users should not in any circumstance invoke any of its non-const methods that are defined in the subclass. This class ought to be reworked to ensure that it is threadsafe |
| CDisulfPairing | |
| CChainbreakDistFunc | |
| CJumpSample | |
| CInterval | Two numbers, i.e., jump start end residue, or cut-regions.. |
| CBaseJumpSetup | Virtual base class: can create a set of jumps and cuts |
| ►CJumpSetup | |
| CJumpDef | |
| CJumpsFromAllPairings | |
| ►CJumpSelector | |
| CJumpWeightDef | |
| CMembraneJump | |
| CPairingTemplate | |
| CBasePairingLibrary | Returns relative orientation of chains at res1 and res2 this is the inner product of the respective N-C vectors |
| CPairingLibrary | |
| CSpecificGeometryLibrary | |
| CStandardPairingLibrary | This class is thread-unsafe, though, if perhaps none of its non-const functions were accessible, then it wouldn't be |
| CRandomSheetBuilder | Select jumps to build a given topology @detail this class encapsulates the functionality of choose_random_pairings in jumping_pairings.cc of Rosetta++ |
| CResiduePairJumpSingle | Single residue component of a ResiduePairJump class |
| CResiduePairJump | |
| ►CResiduePairJumpSetup | |
| CJumpDef | |
| CSameStrand | Tiny helper class that knows the relative fractions of secondary structure L,H,E @detail so far these fractions can be computed from a FragSet other input strategies are conceivable but not implemented, yet: eg. psipred files, a bunch of poses, |
| CSheetBuilder | Select jumps to build a given topology @detail this class encapsulates the functionality of choose_random_pairings in jumping_pairings.cc of Rosetta++ |
| ►Nkinematic_closure | Implementation of the kinematic closure algorithm for sampling protein backbone conformations |
| ►Nperturbers | Algorithms for sampling new backbone torsions |
| CBondAnglePerturber | Resample each backbone bond angle from a gaussian distribution |
| CFragmentPerturber | Pick phi/psi torsions from the given fragment library |
| CIdealizeNonPhiPsi | Set all the non-phi/psi DOFs to ideal values |
| CLogFilePerturber | Read torsion angles, bond angles, and bond lengths from a log file |
| COmegaPerturber | |
| CPerturber | Base class for all of the perturber algorithms |
| CPerturberSet | Maintain a set of perturbers to be executed together |
| CRama2bPerturber | Pick phi/psi pairs from the neighbor-dependent rama distribution |
| CRamaPerturber | Pick phi/psi pairs from the rama distribution |
| CUniformPerturber | Sample backbone torsions from a uniform distribution |
| CVicinityPerturber | Limit sampling to phi/psi pairs within some distance of a target loop |
| CWalkingBondAnglePerturber | Resample each backbone bond angle from a gaussian distribution |
| CWalkingPerturber | Make small perturbations to the previous backbone torsions |
| ►Npivot_pickers | Algorithms for choosing pivot residues |
| CEndToEndPivots | Pick pivots that span the entire loop to sample |
| CFixedOffsetPivots | Randomly pick pivots which are always offset by the same amount, but which can appear anywhere in the loop |
| CFixedOffsetsPivots | Randomly pick pivots which are always offsets given in a list but which can appear anywhere in the loop |
| CFixedPivots | Use a fixed set of pivots specified in advance |
| CLoopPivots | Use the start, stop, and cut points of the given loop as pivots |
| CPivotPicker | Base class for all the pivot picking algorithms |
| CStandardPivots | Randomly pick pivots in a way that may or may not span the whole loop |
| ►Nsolution_pickers | Algorithms for picking one of the 0 to 16 solutions generated by kinematic closure |
| CFilteredSolutions | Apply rama and bump checks to quickly filter out bad solutions |
| CRandomSolutions | Pick a completely random solution to return |
| CSolutionPicker | Base class for all the solution picking algorithms |
| CBalancedKicMover | Make a kinematic closure move that obeys detailed balance |
| CBalancedKicMoverCreator | |
| ►CClosureProblem | Represent and solve a kinematic closure problem |
| CMemento | Save the current state of the closure problem. This is meant to facilitate undoing rejected perturbations when necessary |
| CClosureSolution | Represent a single solution to a kinematic closure problem |
| CKicMover | Find a new backbone conformation for some region of a protein |
| CKicMoverCreator | |
| ►Nkinmatch | |
| CKRSQuery | |
| CFunGroupTK | |
| CBruteFunGroupTK | |
| CKinFunGroupTK | |
| ►Nlegacy_sewing | |
| ►Nsampling | |
| ►Nrequirements | |
| CLegacyGlobalLengthRequirement | |
| CLegacyGlobalLengthRequirementCreator | |
| CLegacyGlobalRequirement | |
| CLegacyIntraSegmentRequirement | |
| CLegacyGlobalRequirementCreator | The Creator class is responsible for creating a particular LegacyGlobalRequirement class |
| CLegacyIntraSegmentRequirementCreator | |
| CLegacyRequirementFactory | Create Features Reporters |
| CLegacyRequirementRegistrator | This templated class will register an instance of an RequirementCreator (class T) with the LegacyRequirementFactory. It will ensure that no RequirementCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CLegacyRequirementSet | |
| CLegacyResidueRetentionRequirement | |
| CLegacyResidueRetentionRequirementCreator | |
| CLegacySegmentDsspRequirement | |
| CLegacySegmentDsspRequirementCreator | |
| CLegacySegmentLengthRequirement | |
| CLegacySegmentLengthRequirementCreator | |
| ►Nscoring | |
| CLegacyAssemblyScorer | |
| CLegacyAssemblyScoreFunction | |
| CLegacyBlosumScorer | |
| CLegacyCalciumMotifScorer | |
| CLegacyClashScorer | |
| CLegacyInterModelMotifScorer | |
| CLegacyMotifScorer | |
| CLegacyPartnerMotifScorer | |
| CAssembly | An Assembly is a collection of SewSegments. Assemblies are created using the geometric "compatibility" data generated by the Hasher |
| CAssemblyFactory | An Assembly is a collection of SewSegments. Assemblies are created using the geometric "compatibility" data generated by the Hasher |
| CContinuousAssembly | An Assembly is a collection of SewSegments. Assemblies are created using the geometric "compatibility" data generated by the Hasher |
| CDisembodiedAssembly | An Assembly is a collection of SewSegments. Assemblies are created using the geometric "compatibility" data generated by the Hasher |
| Csegment | |
| CSewAtom | |
| CSewResidue | |
| CSewSegment | |
| CModelIterator | |
| CModelConstIterator | |
| CSegmentGraph | |
| CModel | |
| Ccoord_hash | |
| Ccoord_equal_to | |
| CHashValue | |
| CBasis | |
| Cbasis_pair_hash | |
| Cbasis_pair_equal_to | |
| CHashResult | |
| CHasher | |
| CLegacyAddStartnodeFragments | |
| CLegacyAddStartnodeFragmentsCreator | |
| CLegacyAppendAssemblyMover | |
| CLegacyAppendAssemblyMoverCreator | |
| CLegacyReadNativeRotamersFile | |
| CLegacyReadRepeatNativeRotamersFile | |
| CLegacyAssemblyConstraintsMover | |
| CLegacyAssemblyConstraintsMoverCreator | |
| CLegacyAssemblyMover | |
| CLegacyEnumerateAssemblyMover | |
| CLegacyEnumerateAssemblyMoverCreator | |
| CLegacyGivenPathAssemblyMover | |
| CLegacyGivenPathAssemblyMoverCreator | |
| CLegacyGreedyAssemblyMover | |
| CLegacyGreedyAssemblyMoverCreator | |
| CLegacyMonteCarloAssemblyMover | |
| CLegacyMonteCarloAssemblyMoverCreator | |
| CLegacyReadNativeRotamersFileCreator | |
| CLegacyReadRepeatNativeRotamersFileCreator | |
| CLegacyRepeatAssemblyMover | |
| CLegacyRepeatAssemblyMoverCreator | |
| CModelNode | |
| CHashEdge | |
| CSewGraph | |
| ►Nligand_docking | |
| ►Nga_ligand_dock | |
| CChiInfo | |
| CEntropyEstimator | Estimates entropy change by ligand binding using short MC simulation |
| CStructInfo | |
| CStructInfoComp | |
| CStructInfoCompdH | |
| COutputStructureStore | Helper class to manage multiple outputs |
| CGALigandDock | Ligand Docking protocol using Genetic Algorithm |
| CGALigandDockCreator | |
| CGADockStageParams | Represent options for a single "phase" of ligand docking |
| CGAOptimizer | Genetic Algorithm Optimizer called by GALigandDock |
| CGriddedAtomTreeMultifunc | Atom tree multifunction class |
| CatmInfo | |
| ChbDon | |
| ChbAcc | |
| CGridHash3D | |
| CGridScorer | Grid representation of scorefunction |
| CAtomProperties | Atom properties important in constraint generation |
| CPharmacophore | Pharmacophore (aka binding-motif) definition |
| CConstraintInfo | Constraint information about AtomProperties and/or Pharmacophores |
| CLigandAligner | Aligns ligand using defined constraint information |
| CTorsionType | Gene representation of ligand & flexible sidechains in receptor |
| CPointScoreComparator | |
| CLigandConformer | |
| CMCSAlignerOptions | Aligns ligand using maximum commom substructure (MCS) |
| CMCSAligner | |
| CReweightableRepEnergy | Rotamer data used for packing in GALigandDock |
| CPlaceableRotamer | |
| CRotamerPairEnergies | |
| CTorsionDistrParams | |
| CTorsionSampler | |
| ►Nligand_options | |
| CInterfaceInfo | Info for each residue- is it part of the interface and if so, what ligands is it near |
| CInterface | For each residue is it in the interface, a mobile region or a non-mobile region? |
| ►Nrdf | |
| CAtomPairData | Simple struct for storing information needed to compute an RDF interaction |
| CRDFBase | |
| CRDFFunctionCreator | The Creator class is responsible for creating a particular RDF Function class |
| CRDFFunctionFactory | Create RDFFunctions |
| CRDFFunctionRegistrator | This templated class will register an instance of an RDFFunctionCreator (class T) with the RDFFunctionFactory. It will ensure that no FeaturesReporterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CRDFEtableCreator | Creator to geneate a new RDFEtableFunction |
| CRDFEtableFunction | RDFEtableFunction computes fa_sol,fa_rep,fa_atr for a pair of atoms |
| CRDFElecCreator | Creator to geneate a new RDFElecFunction |
| CRDFElecFunction | RDFElecFunction computes fa_elec for a pair of atoms |
| CRDFChargeCreator | Creator to geneate a new RDFChargeFunction |
| CRDFChargeFunction | RDFChargeFunction computes fa_elec for a pair of atoms |
| CRDFHbondCreator | Creator to geneate a new RDFHbondFunction |
| CRDFHbondFunction | RDFHbondFunction computes h-bonding energy for a pair of atoms |
| CRDFBinaryHbondCreator | Creator to geneate a new RDFBinaryHbondFunction |
| CRDFBinaryHbondFunction | RDFBinaryHbondFunction returns 1.0 if a pair of atoms are donor and acceptor, 0.0 otherwise |
| CRDFOrbitalFunctionCreator | Creator to geneate a new RDFOrbitalFunction |
| CRDFOrbitalFunction | RDFOrbitalFunction computes the orbital score energies of a pair of atoms |
| CRDFBinaryOrbitalFunctionCreator | Creator to geneate a new RDFBinaryOrbitalFunction |
| CRDFBinaryOrbitalFunction | RDFBinaryOrbitalFunction returns 1 for various orbital pairs and 0 otherwise |
| CAddHydrogen | |
| CAddHydrogens | |
| CAddHydrogensCreator | |
| CAtomCountFilter | |
| CAtomCountFilterCreator | |
| CChainExistsFilter | |
| CChainExistsFilterCreator | |
| CCompleteConnectionsFilter | |
| CCompleteConnectionsFilterCreator | |
| CCompoundTranslate | |
| CCompoundTranslateCreator | |
| CComputeLigandRDF | |
| CComputeLigandRDFCreator | |
| CDistributionMap | A singleton class that returns a map of strings to enum types |
| CFinalMinimizer | |
| CFinalMinimizerCreator | |
| CGrowLigand | |
| CGrowLigandCreator | |
| CHBondAcceptorFilter | |
| CHBondAcceptorFilterCreator | |
| CHBondDonorFilter | |
| CHBondDonorFilterCreator | |
| CHeavyAtomFilter | |
| CHeavyAtomFilterCreator | |
| CHighResDocker | |
| CHighResDockerCreator | |
| CHighResEnsemble | |
| CHighResEnsembleCreator | |
| CInterfaceBuilder | |
| CInterfaceScoreCalculator | |
| CInterfaceScoreCalculatorCreator | |
| CLigandDockMain | |
| CLigandArea | |
| CLigandBaseProtocol | Shared functionality for protocols that dock ligands |
| CLigandDesign | |
| CLigandDesignCreator | |
| CInterfaceBuilderLoaderCreator | |
| CMoveMapBuilderLoaderCreator | |
| CLigandAreaLoaderCreator | |
| CInterfaceBuilderLoader | A class for loading InterfaceBuilders into the XML parser's basic::datacache::DataMap |
| CMoveMapBuilderLoader | A class for loading MoveMapBuilders into the XML parser's basic::datacache::DataMap. NOTE that in the input .xml file, the InterfaceBuilder must be specified before the MoveMapBuilder |
| CLigandAreaLoader | |
| CLigandDockProtocol | |
| CMinimizeBackbone | |
| CMinimizeBackboneCreator | |
| CMinimizeLigand | |
| CMolarMassFilter | |
| CMolarMassFilterCreator | |
| CMolecularMassFilter | |
| CMolecularMassFilterCreator | |
| CMoveMapBuilder | |
| CProtLigPair_info | |
| CProtLigEnsemble | |
| CProtLigEnsembleCreator | |
| CRandomConformerMover | Replace the residue at the given position with a randomly selected conformer from its rotamer library |
| CRandomConformers | |
| CRandomConformersCreator | |
| CResidueTorsionRestraints | Manages harmonic restraints on torsions, so they can be turned off for packing |
| CRigidSearchMover | An optimized mover for Monte Carlo trial of rigid body perturbations |
| CRotate_info | |
| CLigand_info | |
| CRotate | |
| CRotateCreator | |
| CRotates | |
| CRotatesCreator | |
| CSlideTogether | |
| CSlideTogetherCreator | |
| CStartFrom | |
| CStartFromCreator | |
| CTetherLigand | |
| CTransform_info | |
| CTransform | |
| CTransformCreator | |
| CTransformEnsemble_info | |
| CTransformEnsemble | |
| CTransformEnsembleCreator | |
| CTranslate_info | |
| CTranslate | |
| CTranslateCreator | |
| CUnconstrainedTorsionsMover | Juggles torsional constraints with packing or rotamer trials |
| CWriteLigandMolFile | |
| CWriteLigandMolFileCreator | |
| ►Nligand_evolution | |
| CEvolutionManager | The EvolutionManager combines all required resources for the evolutionary ligand optimization and handles them as needed |
| CEvolutionOptions | Within EvolutionOptions class combines all options and settings are collected, defaults saved and sanity checks performed before running |
| CFragmentLibrary | The FragmentLibrary implements a combinatorial library for reaction and reagent data. Its main task is to hold chemical information and provide new ligands |
| CReagent | Internal class to handle reagent information more easily |
| CReaction | Internal class to handle reaction information more easily |
| CIndividual | The individual holds all information about a single solution in an evolutionary optimization process |
| CCrossover | Takes two individuals and produces a set amount of offspring using a crossover |
| CIdentityFactory | Take a single individual, and returns a desired number of point mutated individuals based on the input one |
| CMutator | Take a single individual, and returns a desired number of point mutated individuals based on the input one |
| COffspringFactory | : An abstract class to give an interface for producing offspring from individuals |
| CPopulation | @ Summarizes and contains all Individuals of one generation |
| CScorer | : The Scorer computes the score of each Individual in a Population. It applies a list of movers, calculates a variety of score terms and combines them. The scorer also collects statistics and summarizes information |
| CElitistSelector | Selects only the best scored individuals |
| CRouletteSelector | Selects only the best scored individuals |
| CSelector | : An abstract class to give an interface for subset selection of Population |
| CTournamentSelector | Selects only the best scored individuals |
| ►Nloop_build | |
| CLoopBuildMover | |
| CLoopmodelWrapper | |
| CLoopmodelWrapperCreator | |
| CLoopMover_SlidingWindow | LoopMover utilizing fragment insertion, ccd loop closure, and minimization |
| CLoopMover_SlidingWindowCreator | Creator for the LoopMover_SlidingWindowCreator class |
| ►Nloop_grower | |
| CDensSkeleton | |
| CFragmentExtension | |
| CLoopComparator | |
| CFragmentExtensionCreator | |
| CResTorsions | |
| CSheetPositions | |
| CLoopPartialSolution | |
| CRMSComparator | |
| CLoopPartialSolutionStore | |
| CLoopGrower | |
| CSheetSampler | |
| ►Nloop_modeler | |
| ►Nperturbers | |
| CLoopHashPerturber | Sample backbone torsions using loop hash |
| CLoopModeler | Attempt to find the native structure for one or more loops |
| CLoopModelerCreator | |
| ►Nloop_modeling | Framework for loop structure prediction |
| ►Nrefiners | Algorithms for lowering loop region scores during sampling |
| CMinimizationRefiner | Refine sampled loops using gradient minimization |
| CMinimizationRefinerCreator | |
| CRepackingRefiner | Refine sampled loops using sidechain repacking |
| CRepackingRefinerCreator | |
| CRotamerTrialsRefiner | Refine sampled loops using rotamer trials |
| CRotamerTrialsRefinerCreator | |
| ►Nsamplers | Algorithms for generating new loop conformations |
| CLegacyKicSampler | Apply the legacy KinematicMover |
| CLegacyKicSamplerCreator | |
| ►Nutilities | Generally useful loop-sampling meta-algorithms |
| CAcceptanceCheck | Apply an additional Monte Carlo acceptance check |
| CLoopFilter | Apply any filter in the context of a loop modeling simulation |
| CLoopMoverGroup | Manage a collection of loop-sampling algorithms |
| CPrepareForCentroid | Convert a pose to centroid mode for low-resolution loop modeling |
| CPrepareForCentroidCreator | |
| CPrepareForFullatom | Convert a pose to fullatom mode for high-resolution loop modeling |
| CPrepareForFullatomCreator | |
| CTrajectoryLogger | Log a detailed account of everything that happens in a loop modeling simulation |
| CLoopBuilder | Build loops from scratch |
| CLoopBuilderCreator | |
| CToolboxKeys | Key names for data shared between loop movers |
| CLoopMover | Base class for loop-sampling algorithms |
| CLoopProtocol | Monte Carlo search for low energy loop conformations |
| CLoopProtocolCreator | |
| ►Nloophash | |
| CBBExtraData | |
| CBBData | |
| CBackboneSegment | |
| CBackboneDB | |
| CEXCN_DB_IO_Failed | |
| CEXCN_Invalid_Hashmap | |
| CEXCN_No_Extra_Data_To_Write | |
| CEXCN_Wrong_DB_Format | |
| CEXCN_bbdb_Merge_Failed | |
| CFastGapMover | Not implemented! Mover class for closing gaps |
| CLocalInserter | Manages the insertion of an arbitrary length of backbone in a local manner |
| CLocalInserter_SimpleMin | Insert a backbone segment and use minimization with coordinate constraints to keep the insertion local |
| CLoopHashDiversifier | Use LoopHash to generate low-resolution alternate conformations for the given pose |
| CLoopHashDiversifierCreator | |
| CLoopHashLibrary | |
| CLoopHashLibraryLoader | LoopHashLibraryLoader constructs a LoopHashLibrary instance from data provided by the ResourceManager |
| CLoopHashLibraryLoaderCreator | LoopHashLibraryLoaderCreator allows the ResourceLoaderFactory to create a LoopHashLibraryLoader instance |
| CLeapIndex | Store information about a particular Leap |
| CLegacyLeapIndex | |
| CLoopHashMap | Loop hash map stores LeapIndexes and a hashmap to access those LeapIndexes quickly by their 6D coordinates |
| CLoopHashMoverWrapper | Use LoopHash to sample new high-resolution conformations for the given pose |
| CLoopHashMoverWrapperCreator | |
| CLoopHashRelaxProtocol | Not implemented! |
| CFilterBucket | |
| CLoopHashSampler | Create candidate structures where some residues have been sampled by loophash |
| CMover_LoopHashRefine | |
| CMPI_LoopHashRefine | |
| CMPI_LoopHashRefine_Emperor | |
| CMPI_LoopHashRefine_Master | |
| CWorkUnit_LoopHash | |
| ►Nloops | |
| ►Nfilters | |
| CLoopAnalyzerFilter | LoopAnalyzerFilter examines loop structures and packages extra scores into a Job object; maybe you can filter on its "LAM score" (not yet implemented) |
| CLoopAnalyzerFilterCreator | |
| ►Nloop_closure | |
| ►Nccd | |
| CCCDLoopClosureMover | Close a loop (protein or otherwise) using bi-directional Cyclic Coordinate Descent |
| CCCDLoopClosureMoverCreator | CCDLoopClosureMoverCreator allows the MoverFactory to create a CCDLoopClosureMover instance |
| CLoopClosure | |
| CRamaCheckBase | |
| CRamaCheck1B | |
| CRamaCheck2B | |
| CShortLoopClosure | |
| CSlidingWindowLoopClosure | |
| CWidthFirstSlidingWindowLoopClosure | @detail |
| CFASelectSlidingWindowLoopClosure | |
| ►Njacobi | |
| CJacobiLoopClosureMover | Iterative loop closure mover, based on a linearization of the kinematics, which adjusts all free backbone torsion angles simultaneously in each iteration |
| CJacobiLoopClosureMoverCreator | |
| ►Nkinematic_closure | |
| CKinematicMover | A mover class for performing kinematic loop closure on a peptide segment @detail |
| CKinematicPerturber | Pure virtual base class for KinematicPerturber. KinematicPerturbers determine HOW loops should be perturbed. The base class contains a provision for determining WHERE they should be perturbed: MoveMap sensitivity |
| CTorsionSamplingKinematicPerturber | Torsion sampling kinematic perturber |
| CVicinitySamplingKinematicPerturber | Vicinity sampling kinematic perturber |
| CTorsionSweepingKinematicPerturber | WARNING WARNING UNTESTED!!!! torsion sweeping kinematic perturber |
| CNeighborDependentTorsionSamplingKinematicPerturber | Neighbor-dependent torsion sampling kinematic perturber – uses rama2b for phi/psi lookup |
| CTorsionRestrictedKinematicPerturber | Torsion-restricted kinematic perturber (still samples randomly, but only within a given torsion bin) |
| CBaseTabooPerturber | Taboo-sampling perturber base class, the two variants of which, share much code in common, but interface with separate Ramachandran potentials |
| CTabooSamplingKinematicPerturber | Taboo-sampling kinematic perturber (still samples randomly, but only within a specific torsion bin, and the Taboo sampler ensures that this torsion bin is varied in each iteration) |
| CNeighborDependentTabooSamplingKinematicPerturber | Neighbor-dependent Taboo-sampling kinematic perturber (still samples randomly, but only within a given torsion bin; the Taboo sampler ensures that this torsion bin is varied in each iteration) that uses neighbor-dependent Ramachandran distributions (rama2b) |
| CKinematicWrapper | |
| ►Nloop_mover | |
| ►Nperturb | |
| CLoopMover_Perturb_CCD | |
| CLoopMover_Perturb_CCDCreator | Creator for the LoopMover_Perturb_CCDCreator class |
| CLoopMover_Perturb_KIC | |
| CLoopMover_Perturb_KICCreator | Creator for the LoopMover_Perturb_KICCreator class |
| CLoopMover_Perturb_QuickCCD | LoopMover utilizing fragment insertion, ccd loop closure, and minimization |
| CLoopMover_Perturb_QuickCCD_Moves | |
| CLoopMover_Perturb_QuickCCD_MovesCreator | Creator for the LoopMover_Perturb_QuickCCD_MovesCreator class |
| CLoopMover_Perturb_QuickCCDCreator | Creator for the LoopMover_Perturb_QuickCCDCreator class |
| ►Nrefine | |
| CLoopMover_Refine_Backrub | |
| CLoopMover_Refine_BackrubCreator | Creator for the LoopMover_Refine_BackrubCreator class |
| CLoopMover_Refine_CCD | |
| CLoopMover_Refine_CCDCreator | Creator for the LoopMover_Refine_CCDCreator class |
| CLoopMover_Refine_KIC | |
| CLoopMover_Refine_KICCreator | Creator for the LoopMover_Perturb_KICCreator class |
| CLoopRefineInnerCycle | |
| CLoopRefineInnerCycleContainer | |
| CLoopRefineInnerCycleContainerCreator | Creator for the LoopRefineInnerCycleContainer class |
| CLoopRefineInnerCycleFactory | Create LoopMover Reporters |
| CRepackTrial | |
| CRepackTrialCreator | Creator for the RepackTrial class |
| CShearMinCCDTrial | |
| CShearMinCCDTrialCreator | Creator for the ShearMinCCDTrial class |
| CSmallMinCCDTrial | |
| CSmallMinCCDTrialCreator | Creator for the SmallMinCCDTrial class |
| CIndependentLoopMover | |
| CLoopCM | |
| CLoopCMCreator | |
| CLoopMover | The loop-rebuild protocol |
| ►Nloops_definers | |
| CLoopsDatabaseDefiner | |
| CLoopsDatabaseDefinerCreator | Creator for the LoopsDatabaseDefiner class |
| CLoopsDefiner | |
| CLoopsDefinerCreator | Creator for the LoopsDefiner class |
| CLoopsDefinerFactory | Create LoopsDefiner Reporters |
| CLoopsDefinerRegistrator | This templated class will register an instance of an LoopsDefinerCreator (class T) with the LoopsDefinerFactory. It will ensure that no LoopsDefinerCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CLoopsDefinerLoader | A class for loading Loops data into the XML parser's basic::datacache::DataMap |
| CLoopsDefinerLoaderCreator | |
| CLoopsExplicitDefiner | |
| CLoopsExplicitDefinerCreator | Creator for the LoopsExplicitDefiner class |
| CLoopsFileDefiner | |
| CLoopsFileDefinerCreator | Creator for the LoopsFileDefiner class |
| CLoopsStringDefiner | A LoopsDefiner which can be configured with a string in a Start:End:Cut,Start:End:Cut... format. (Cut optional, PDB numbering acceptable.) |
| CLoopsStringDefinerCreator | Creator for the LoopsStringDefiner class |
| CEXCN_Loop_not_closed | |
| CFoldTreeFromLoops | |
| CFoldTreeFromLoopsCreator | |
| CSerializedLoop | Bare-bones representation of a loop |
| CLoop | Single loop definition |
| CRationalLoopComparator | Orders loops by start position |
| CLoop_lt | Used to sort Loops by start-res |
| CLoopMoverFactory | Create LoopMover Reporters |
| CLoops | |
| CLoopFromFileData | |
| CLoopsFileData | |
| CGuardedLoopsFromFile | This class ensures that the Loops object that is needed to run any of the various forms of loop modeling is correctly initialized from a Pose. If the residues specified from a loops file have not been resolved into the residue indices for a Pose, then this class will die with an assertion failure |
| CLoopsFileIO | |
| CPoseNumberedLoopFileReader | |
| CJSONFormattedLoopsFileReader | |
| CLoopsFileLoader | LoopsFileLoader constructs a LoopsFileData instance from data provided by the ResourceManager |
| CLoopsFileLoaderCreator | LoopsFileLoaderCreator allows the ResourceLoaderFactory to create a LoopsFileLoader instance |
| ►Nmagnesium | |
| CMgHydrater | |
| CMgMinimizer | |
| CMgMonteCarlo | |
| CMgOrbitalFrameFinder | |
| CMgScanner | |
| CMgWaterHydrogenPacker | |
| CSampleGrid | |
| ►Nmainchain_potential | |
| CGenerateMainchainPotential | A generator for mainchain potentials. Inputs are a noncanonical residue type with an already-generated sidechain potential; outputs are a potential file suitable for use by the RamaPrePro scoreterm |
| CGenerateMainchainPotentialOptions | Options container for the generator for mainchain potentials |
| ►Nmake_rot_lib | |
| CMakeRotLibJob | |
| CMakeRotLibJobInputter | |
| CMakeRotLibJobInputterCreator | |
| Crunning_average_pair | Struct that is used in calc_centroids, values init to zero |
| CMakeRotLibMover | |
| CTorsionRange | |
| CCentroidRotNum | |
| CMakeRotLibOptionsData | |
| CRotData | |
| ►Nmatch | |
| ►Ndownstream | |
| CActiveSiteGrid | |
| CClassicMatchAlgorithm | Produce hits by hashing building the coordinates of the downstream partner The downstream partner is responsible for building itself from the coordinate frame of three of its atoms. The ExternalGeomSampler describes the ways to orient the downstream partner given the coordinates of the upstream partner |
| CDownstreamAlgorithm | A class for an algorithm. Given a conformation of the upstream partner, the algorithm is responsible for producing a set of hits |
| CDownstreamBuilder | |
| CAtomGeometrySecMatchRPE | Helper class for GeometrySec abstract base class for distance, angle, and dihedral derived classes |
| CAtomDistanceSecMatchRPE | RPE to figure out if two atoms are within a given distance atoms need to be set through the parent class add_at_ind function |
| CAtomAngleSecMatchRPE | RPE to figure out if three atoms are within a given angle atoms need to be set through the parent class add_at_ind function |
| CAtomDihedralSecMatchRPE | RPE to figure out if four atoms are within a given dihedral angle atoms need to be set through the parent class add_at_ind function also checks whether a dihedral is periodic, i.e. multiple minima |
| CGeometrySecMatchRPE | Holds a list of AtomGeometrySecMatchRPEs, that get evaluated in sequence when an instance of this class is asked to evaluate two residues |
| CLigandConformerBuilder | |
| CRigidLigandBuilder | |
| CScoringSecMatchRPE | |
| CSecMatchEvaluatorFactory | Collection of functions making a single score_function |
| CSecMatchResiduePairEvaluator | Base for class used by secondary matcher to determine whether a given residue to be matched interacts satisfactorily with a target residue |
| CSecondaryMatcherToDownstreamResidue | A class for an algorithm. Given a conformation of the downstream partner, the algorithm is responsible for producing a set of hits |
| Chash_upstream_hit | |
| CSecondaryMatcherToUpstreamResidue | A class for an algorithm. Given a conformation of the upstream partner, the algorithm is responsible for producing a set of hits |
| CTargetRotamerCoords | |
| CSecondaryMatchUpstreamResProcessor | A simple class to respond to the UpstreamBuilder's process_hit method and pass on the coordinates to its "owning" SecondaryMatcherToUpstreamResidue object |
| Cus_secmatch_hit_compare | A simple struct to use in list.sort() to ensure that the hits returned by a secondary matcher which has possibly generated upstream hits out-of-order, will return an ordered-hit-list in its build_hits_at_all_positions() method |
| ►Noutput | |
| CDownstreamRMSEvaluator | In the best of all possible worlds, this class would be sufficiently generic such that I could compare RMS for arbitrary subsets of atoms on the downstream partner, but in my first pass implementation, I'm writing while aiming at the RigidLigandBuilder – 1 residue – and I'll compare all heavy atoms |
| CLimitHitsPerRotamerFilter | |
| CMatchConsolidator | |
| CBestMatchesCollection | |
| CMatchEvaluator | |
| CMatchFilter | |
| CStateAccumulatingMatchFilter | |
| CMatchGrouper | |
| CMatchOutputter | |
| CMatchProcessor | |
| CMatchScoreWriter | |
| COutputWriter | |
| CPDBWriter | |
| CCloudPDBWriter | Output writer that uses a grouper to group matches and then writes out one pdb file per group, with the different hits from the group in different MODEL sections |
| CPoseMatchOutputWriter | Helper class for the MatcherMover that will put a match into a supplied pose |
| CPoseInserter | |
| CProcessorFactory | |
| CSameChiBinComboGrouper | |
| CSameRotamerComboGrouper | |
| CSameSequenceGrouper | Class to group matches that represent the same amino acids at the same launch points. E.g. Two matches that both put a cys at launch point #33, a ser a launch point #42 and another ser at launch point #80 would be grouped together – even if they are different rotamers |
| CSameSequenceAndDSPositionGrouper | Class that groups based on same sequence and proximity of the downstream object (based on rms ) NOTE: right now only the downstream position according to the first geomcst id upstream residue is taken into account |
| CMatchCollisionFilter | |
| CUpstreamCollisionFilter | This class is used to detect collisions between the upstream residues and filter out matches that have too much collision. It can perform either hard-sphere collision detection, or score-function (Etable) driven collision detection. Four command-line flags are read by the MatcherTask to initialize this class: match::filter_colliding_upstream_residues match::upstream_residue_collision_tolerance match::upstream_residue_collision_score_cutoff match::upstream_residue_collision_Wfa_atr match::upstream_residue_collision_Wfa_rep match::upstream_residue_collision_Wfa_sol |
| CUpstreamDownstreamCollisionFilter | This class is used to detect collisions between upstream residues and downstream poses |
| CUpstreamHitCacher | |
| CWriteKinemageOutputter | |
| CResidueKinemageWriter | |
| CWriteUpstreamCoordinateKinemage | |
| CWriteUpstreamHitKinemage | |
| CDownstreamCoordinateKinemageWriter | |
| CSingleDownstreamResidueWriter | Class for writing conformations of the downstream partner in a kinemage description |
| ►Nupstream | |
| CProteinBackboneBuildPoint | |
| COriginalBackboneBuildPoint | |
| CProteinSCSampler | |
| CDunbrackSCSampler | Basic class for sidechain sampling that pulls data from the Dunbrack rotamer library. The samples that are returned are the basic rotamers and do not include any expansions by the "ex" flags |
| CSampleStrategyData | This class holds all of the data associated with the logic for generating extra samples for a particular chi angle. There are tons of ways concievable to build extra rotamers; the data in this class is intended to group all of that data into one place. This class is not responsible for building extra rotamer samples; that responsibility is given to class FullChiSampleSet |
| CBuildSet | A simple class that describes the geometry for a particular residue type. It describes the coordinate frame geometry for the fourth atom defining each chi dihedral. The fourth atom is called the "chi tip" atom, as it's at the tip of the growing kinematic chain when building chi i. This class also describes the location of the atoms controlled by each chi which are not the chi-tip atoms; it measures their location in the coordinate frame of the chi-tip atom |
| CFullChiSampleSet | |
| CProteinUpstreamBuilder | |
| CScaffoldBuildPoint | |
| CUpstreamBuilder | |
| CUpstreamResidueProcessor | |
| CUpstreamResTypeGeometry | A simple class that describes the geometry for a particular residue type. It describes the coordinate frame geometry for the fourth atom defining each chi dihedral. The fourth atom is called the "chi tip" atom, as it's at the tip of the growing kinematic chain when building chi i. This class also describes the location of the atoms controlled by each chi which are not the chi-tip atoms; it measures their location in the coordinate frame of the chi-tip atom |
| CBool3DGrid | |
| CBumpGrid | |
| CBool3DGridKinemageWriter | |
| CHit | |
| Cupstream_hit | |
| Cdownstream_hit | |
| Cmatch_dspos1 | Describe a match as n_geometric_constraint upstream residue conformations and one positioning of the downstream partner ( "dspos1" = 1 downstrem position) |
| CMatcher | |
| CMatcherOutputStats | |
| CMatcherMover | |
| CMatcherMoverCreator | |
| CMatcherTask | |
| CMatchPositionModifier | Base class for objects that modify the match positions based on some criterion |
| CSecondaryStructureMPM | Removes positions at which the pose does not have the desired secondary structure |
| CNumNeighborsMPM | Removes positions whose numer of neighbors below a 10A cutoff is not within the desired range. if either min_neighbors_ or max_neighbors_ are unspecified (0), this means that they won't be taken into account, i.e. if min is 5 and max is 0, every position that has more than 4 neighbors will be allowed. also offers the possibility of combining the num neighbors cutoff with the angle between the CA->CB vector of the residue and the CA->protein_center_of_mass vector, for example to only allow positions that point inward |
| CBfactorMPM | Removes positions at which the bfactors for c-alpha atoms are above a desired cutoff. bfactors stored in the pose pdbinfo are taken. if relative bfactors are used, all bfactors are divided by the largest observed bfactor |
| CAddAllPositionsMPM | MPM that returns a vector of all protein positions in the pose i.e. allowing matching everywhere |
| CRemoveNorCTermMPM | Added by olga and flo 1/2011 class to exclude positions at the n and c termini of proteins from matching |
| CTaskOperationMPM | Mpm that will get a task operation as specified in the tag from the TaskOperationFactory, apply the task operation to the pose and every residue that is then set to designing in the task will be a match position |
| CHitHasher | This object hashes hits into 6D voxels. This hash can then be traversed to retrieve the hits that hash to the same voxel (matches!). There are 64 hashes representing the 2^6 ways to perturb the bins in 6D by 1/2 of their bin width |
| CHitNeighborFinder | |
| CMatchCounter | Class for counting the number of matches given a particular discretization level |
| Cmatch_lite_equals | |
| Cmatch_lite_hasher | |
| CMatchOutputTracker | |
| COccupiedSpaceHash | This class keeps track of the active voxels "up until now" with 64 hashes |
| CVoxelSetIterator | Helper class for the OccupiedSpaceHasher which manages the logic for how to iterate across the 64 voxels that each 6-D point covers |
| ►Nmatdes | |
| CBuildingBlockInterfaceOperation | |
| CBuildingBlockInterfaceOperationCreator | |
| CClashCheckFilter | |
| CClashCheckFilterCreator | |
| CExtractSubposeMover | |
| CExtractSubposeMoverCreator | |
| CGetRBDOFValues | WARNING WARNING WARNING THIS CLASS USES THE THREAD UNSAFE SymDofMoverSampler AND MAKES ANY PROTOCOL THAT USES THIS CLASS THREAD UNSAFE |
| CGetRBDOFValuesCreator | |
| CInterfacePackingFilter | |
| CInterfacePackingFilterCreator | |
| CMatDesGreedyOptMutationMover | |
| CMatDesGreedyOptMutationMoverCreator | |
| CMatDesPointMutationCalculator | |
| CMotifHitsRotamersOperation | |
| COligomericAverageDegreeFilter | |
| COligomericAverageDegreeFilterCreator | |
| CSchemePlaceMotifsMover | |
| CSchemePlaceMotifsMoverCreator | |
| CSymDofMover | |
| CSymDofMoverCreator | |
| CSymDofMoverSampler | WARNING WARNING WARNING THIS SINGLETON CLASS HOLDS NON-CONST, JOB SPECIFIC DATA AND MAKES EVERY CLASS THAT USES THIS DATA THREAD UNSAFE. THIS IS NOT HOW SINGLETONS SHOULD BE USED |
| CSymUnsatHbondFilter | Filters based on an upper bound # of buried unsatisfied polar residues |
| CSymUnsatHbondFilterCreator | |
| ►Nmd | |
| CCartesianMD | |
| CCartesianMDCreator | |
| CMDscheduleData | |
| CMDBase | |
| CConstraint | |
| CRattle | |
| CThermostat | |
| ►Nmean_field | |
| CAAMatrix | |
| CAAProb | |
| CDesignMeanField | |
| CEnergiesByTaskCalculator | |
| CFlexBBDesignMeanField | |
| CFlexBBMeanField | |
| CGenMeanFieldMover | |
| CGenMeanFieldMoverCreator | |
| ►Cjagged_array | Utility::vector1<utility::vector1>> vector of vectors to create the effect of a jagged array |
| Cfunc_T2 | |
| CMeanField | |
| CMeanFieldFactory | |
| CResHasher | Uses default boost::hash combine to hash rotamers based on rounded chi angles |
| CResPred | Checks whether two rotamer hashes match - if the rounded values of their chi angles match |
| CResHashMap | |
| CRotMatrix | |
| CRotProb | |
| ►Nmedal | |
| CMedalExchangeMover | |
| CMedalMover | |
| ►Nmembrane | |
| ►Nbenchmark | |
| CMakeCanonicalHelix | Creates an ideal a-helix from sequence given a range of residues |
| CMakeCanonicalHelixCreator | |
| CSampleTiltAngles | Calculates the energy at all possible tilt angles (0->180 degrees) |
| CSampleTiltAnglesCreator | |
| ►Ngeometry | |
| CEmbedding | |
| CEmbeddingDef | Embedding Setup Helper Class |
| ►Nscoring | |
| CElectricfieldLipidlayer | Fullatom Membrane Environment Energy |
| CElectricfieldLipidlayerCreator | Creator Class for Membrane CBeta Energy Method |
| CFaWaterToBilayerEnergy | Fullatom Membrane Environment Energy |
| CFaWaterToBilayerEnergyCreator | Creator Class for Membrane CBeta Energy Method |
| CMEnvAtomParams | A container for storing memrbane environemnt parameters and derivatives |
| CMEnvElectroAtomParams | A container for storing implicit membrane environment electrostatic parameters and derivatives |
| ►Nsymmetry | |
| CSymmetricAddMembraneMover | |
| CSymmetricAddMembraneMoverCreator | Mover Creator |
| ►Nvisualize | |
| CVisualizeEmbeddingMover | Adds virtual residues to visualize span embeddings of the membrane protein |
| CVisualizeEmbeddingMoverCreator | Mover Creator |
| CVisualizeMembraneMover | Add membrane planes to the pose represented by 2 layers of MEM virtual residues |
| CVisualizeMembraneMoverCreator | Mover Creator |
| CSpanInfo | A utility class to store deferred parse span information |
| CAddMembraneMover | Initialize the RosettaMP framework by adding representations of the membrane |
| CAddMembraneMoverCreator | Mover Creator |
| CAddMembraneSpanConstraint | |
| CAddMembraneSpanConstraintCreator | Mover Creator |
| CAddMembraneSpanTermZConstraint | |
| CAddMembraneSpanTermZConstraintCreator | Mover Creator |
| CAddMPLigandMover | Add Membrane protein ligand mover |
| CAddMPLigandMoverCreator | Mover Creator |
| CAqueousPoreFinder | Compute the center, major axis and minor axis of an ellipsoidal aqueous pore |
| CAqueousPoreFinderCreator | |
| CFlipMover | Takes a pose and flips the downstream partner around the axis between the COMs of the partners, projected into the membrane plane. CAUTION: THIS MOVER ONLY WORKS FOR A FIXED MEMBRANE WHERE THE MEMBRANE VIRTUAL RESIDUE IS AT THE ROOT OF THE FOLDTREE!!! |
| CFlipMoverCreator | Mover Creator |
| CMembranePositionFromTopologyMover | Compute the initial position of the membrane based upon sequence or structure |
| CMembranePositionFromTopologyMoverCreator | Mover Creator |
| CMPLipidAccessibility | Mover that computes which residues are lipid accessible and puts that information into the B-factors: 50 is lipid accessible, 0 is lipid INaccessible |
| CMPLipidAccessibilityCreator | |
| CMPQuickRelaxMover | |
| CMPQuickRelaxMoverCreator | Mover Creator |
| COptimizeMembranePositionMover | |
| COptimizeMembranePositionMoverCreator | Mover Creator |
| COptimizeProteinEmbeddingMover | |
| COptimizeProteinEmbeddingMoverCreator | Mover Creator |
| CRandomPositionRotationMover | Random Position Rotation Move |
| CRandomPositionTranslationMover | Random Position Translation Move |
| CSetMembranePositionMover | Membrane Position Translation-Rotation Mover |
| CSetMembraneNormalMover | Membrane Position Rotation Move |
| CSetMembraneCenterMover | Membrane Position Translation Move |
| CSetMembranePositionMoverCreator | Mover Creator for composed RT mover |
| CSetMembraneNormalMoverCreator | Mover creator for membrane rotation mover |
| CSetMembraneCenterMoverCreator | Mover Creator for membrane translation mover |
| CSpinAroundPartnerMover | |
| CSpinAroundPartnerMoverCreator | Mover Creator |
| CTiltMover | Tilts the downstream partner along the axis between the COMs of the partners |
| CTiltMoverCreator | Mover Creator |
| CTransformIntoMembraneMover | Transform a pose into membrane coordinates based on the current embedding of the protein |
| CTransformIntoMembraneMoverCreator | Mover Creator |
| CTranslationMover | Translation vector can be defined in -mp:setup center flag to translate the new pose to. The mover is a general mover but used mainly on membrane proteins, that's why we use this flag here The default jump is going to be the membrane jump, but you can also specify your own |
| CRotationMover | Rotates the pose such that a vector in the old orientation will be overlayed in the new orientation. Requires two vectors (old and new) and a point on the new vector around which the rotation takes place. The mover is a general mover but used mainly on membrane proteins. For membrane proteins, the two vectors will be the old and new normal and the point will be the new center. The default jump is going to be the membrane jump, but you can also specify your own. The rotation happens around the axis perpendicular to both vectors with an angle enclosed by both vectors |
| CTranslationRotationMover | Translation and Rotation of a pose. The new position can be defined by the -mp:setup center and normal flags. The mover is a general mover, but used mainly on membrane proteins, that's why we use this flag here. The default jump is going to be the membrane jump, but you can also specify your own. See above for the TranslationMover and the RotationMover |
| CTranslationMoverCreator | Mover Creator |
| CRotationMoverCreator | Mover Creator |
| CTranslationRotationMoverCreator | Mover Creator |
| CHelixFromSequence | Generates a (transmembrane) helix from a fasta file containing the sequence |
| CHelixFromSequenceCreator | |
| CMPMutateRelaxMover | |
| CMPMutateRelaxMoverCreator | Mover Creator |
| ►Nmembrane_benchmark | |
| CMembraneEnergyLandscapeSampler | Sample all points on a 2D membrane energy landscape given implicit model and protein dimensions |
| CMembraneEnergyLandscapeSamplerCreator | |
| CPeptideOrientationMover | Sample all points on a 2D membrane energy landscape given implicit model and protein dimensions |
| CPeptideOrientationMoverCreator | |
| ►Nmetal_interface | |
| CAddZincSiteConstraints | Add metalsite geometry constraints to pose |
| CMatchGrafter | |
| CMetalSiteResidue | |
| CRemoveMetalConnectionsMover | A mover that removes the connections to metals that were added by the SetupMetalsMover or by the -auto_setup_metals flag |
| CRemoveMetalConnectionsMoverCreator | |
| CZincHeterodimerMover | |
| CZincSiteFinder | |
| ►Nminimization_packing | |
| ►Nsymmetry | |
| CSymMinMover | This class is kept only for backward compatibility – The regular MinMover should now handle symmetric poses transparently and is preferred |
| CSymMinMoverCreator | |
| CSymPackRotamersMover | This class is provided for backwards compatibility only The PackRotamersMover should work with symmetry transparently and is preferred |
| CSymPackRotamersMoverCreator | |
| CSymRotamerTrialsMover | This class is provided for historical support only The RotamerTrialsMover should handle symmetry transparently and is preferred |
| CSymEnergyCutRotamerTrialsMover | This class is provided for historical support only The EnergyCutRotamerTrialsMover should handle symmetry transparently and is preferred |
| CSymRotamerTrialsMoverCreator | |
| CTaskAwareSymMinMover | |
| CTaskAwareSymMinMoverCreator | |
| CBoltzmannRotamerMover | |
| CBoltzmannRotamerMoverCreator | |
| CDisulfideOptimizationMover | A Mover to jointly optimize the geometry of a pair of disulfide-bonded residues |
| CDisulfideOptimizationMoverCreator | |
| CMinimalRotamer | |
| CGroupDiscriminator | Interface class used to break a pose down into a set of component "groups" where intra-group rotamer-pair energies are preserved between calls to the GreenPacker. E.g. in rigid-body docking between two proteins, chains 1 and 2 define groups 1 and 2. In rigid-body docking between two domains of the same chain, those residues upstream of jump 1 define group 1, and those downstream of jump 1 define group 2. In loop modelling, the static background is group 1, and the loop itself is group 0, since loop residues will have their bb dofs change regularly between repackings |
| CUserDefinedGroupDiscriminator | |
| CChainGroupDiscriminator | |
| CGreenPacker | |
| CMinMover | A protocols::moves::Mover that minimizes a Pose to a local energy minimum by performing energy minimization of a ScoreFunction over the allowable degrees of freedom, defined by a MoveMap. The minimization type, minimization tolerance, and various other options can be also be set |
| CMinMoverCreator | |
| CMinPackMover | Mover that packs and minimizes the side-chains. It uses a ScoreFunction for packing and either a PackerTask, or a TaskFactory that generates a PackerTask for instructions on what rotamer sets are allowed at each residue position during packing |
| CMinPackMoverCreator | |
| CPackRotamersMover | A protocols::moves::Mover that packs the side-chains using a rotamer library It uses a ScoreFunction for packing and a PackerTask, or a TaskFactory that generates a PackerTask, for instructions on what rotamer sets are allowed at each residue position during packing |
| CPackRotamersMoverCreator | |
| CPackRotamersMoverLazy | Mover that packs the side-chains using a rotamer library in a lazy fashion |
| CPackRotamersMoverLazyCreator | |
| CPertMinMover | Random perturbation, followed by minimization |
| CPertMinMoverCreator | |
| CRepackSidechainsMover | A protocols::moves::Mover that packs the side-chains (very similar to pack_missing_sidechains() |
| CRepackSidechainsMoverCreator | |
| CRotamerizeMover | Mover that replaces the repackable parts - sidechains, bases, etc. - based purely on geometric similarity to the starting structure. The purpose is to generate the best case output of a repacking calculation as a positive control for benchmarking and parameter fitting. Thus, the soft rep potential was originally derived as the score function that gave the best fit between repacked and rotamerized structures for a large test set |
| CRotamerTrialsMinMover | |
| CEnergyCutRotamerTrialsMinMover | Wrapper for Rotamer Trials with Minimization, which modifies only rotamers whose energy changed by a given constant |
| CRotamerTrialsMinMoverCreator | |
| CRotamerTrialsMover | |
| CEnergyCutRotamerTrialsMover | |
| CRotamerTrialsMoverCreator | |
| CSaneMinMover | |
| CSaneMinMoverCreator | |
| CSetReturningPackRotamersMover | |
| CTaskAwareMinMover | |
| CTaskAwareMinMoverCreator | |
| ►Nmonte_carlo | |
| CGenericMonteCarloMover | |
| CGenericMonteCarloMoverCreator | |
| CAcceptedScores | Represents a set of filter scores that have been accepted |
| CGenericSimulatedAnnealer | GenericSimulatedAnnealer mover for performing simulated annealing trajectories |
| CGenericSimulatedAnnealerCreator | |
| CMonteCarloInterface | A MonteCarlo object for optimizing the interface dG as defined using InterfaceAnalyzer. The dG and Total energy can be weighted. This is so that the interface energy itself can be optimized through a protocol |
| CMonteCarloRecover | |
| CMonteCarloRecoverCreator | |
| CMonteCarloReset | |
| CMonteCarloResetCreator | |
| CMonteCarloTest | |
| CMonteCarloTestCreator | |
| CResetBaselineMover | |
| CResetBaselineMoverCreator | |
| ►Nmotif_grafting | ...that lives inside of motif_grafting.. |
| ►Nmovers | ...and belongs to the movers class.. |
| CMotifGraftCreator | |
| Cmotif2scaffold_indexes | Structure that contains the data of corresponding fragments in the motif and scaffold |
| Cmotif2scaffold_data | Structure that contains the motif2scaffold_indexes data in a vector and adds fields for fragment matching information |
| CMotifMatch | |
| CMotifGraftMover | |
| ►Nmotifs | |
| CBuildPosition | |
| CIRCollection | |
| CLigandMotifSearch | |
| CMotif | |
| CMotifDnaPacker | |
| CMotifDnaPackerCreator | |
| CMotifHit | |
| CMotifLibrary | |
| CMotifSearch | |
| CSingleMotif | |
| ►Nmoves | |
| CChangeFoldTreeMover | |
| CCompositionMover | |
| CCyclicMover | @detail A simple class for cycling between movers in consecutive calls to apply() |
| CDsspMover | |
| CDsspMoverCreator | |
| CDualMonteCarlo | |
| CFilterMover | |
| CFilterReportAsPoseExtraScoresMover | This Mover runs a Filter and dumps the report_sm value to Pose's extra scores (for later JD reporting) To do the same for all filters, use WriteFiltersToPose |
| CFilterReportAsPoseExtraScoresMoverCreator | |
| CFilterReporterMover | A FilterMover that also calls report() on apply() |
| CIfMover | |
| CIfMoverCreator | |
| CIteratedConvergenceMover | A mover that repeatedly applies a sub-mover (up to a given maximum) until the given filter returns values within a certain delta for a given number of cycles |
| CIteratedConvergenceMoverCreator | |
| CJumpOutMover | |
| CMixedMonteCarlo | A wrapper class around MonteCarlo that uses both centroid and FA scorefxns |
| CMonteCarlo | This object is responsible for all of the major functions needed in a Monte Carlo simulation. Its main purpose is to apply the Metropolis Criterion on a pose, based on a ScoreFunction, temperature, and the previously accepted pose. It stores the lowest-energy pose ecountered, the last-accepted pose in the simulation, and various other statistics |
| CEXCN_Converged | |
| CMonteCarloExceptionConverge | |
| CMoveMapMover | |
| CMover | |
| CMoverApplyingMover | |
| CMoverContainer | |
| CSequenceMover | A Mover that iterates through a vector of Movers, applying each one sequentially |
| CRandomMover | RandomMover picks a random move and applies it |
| CCycleMover | CycleMover iterates through its vector of Movers one at a time over many calls to apply() |
| CSwitchMover | SwitchMover can hold multiple movers and execute only the requested one |
| CSequenceMoverCreator | |
| CRandomMoverCreator | |
| CSwitchMoverCreator | |
| CMoverCreator | Abstract base class for a Mover factory; the Creator class is responsible for creating a particular mover class |
| CMoverRegistrator | This templated class will register an instance of an MoverCreator (class T) with the MoverFactory. It will ensure that no MoverCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CMoverFactory | |
| CMoverForPoseList | |
| CMoverStatistics | |
| CNullMover | |
| CPDBDumpMover | |
| CProfilerMover | |
| CMCShowMover | |
| ►CUDPSocketClient | PyMOLMover helper class. Handle low level UDP transactions stuff. This is a port of original Python version of UDP socket client written writen for PyRosetta |
| CUUID | Unique id of this socket client |
| CPyMOLMover | Special Mover designed to send Pose information into PyMOL instance running |
| CPyMOLObserver | Special Observer which apply PyMOLMover if Pose is changed |
| CPyMOLMoverCreator | |
| CRampingFunc | |
| CLinearFunc | |
| CFastLinearFunc | |
| CGeometricFunc | Ramps rapidly from the starting value to the final value. Not 1 at x=1. Doesn't really finish at (1,1). func(x) = 1 - exp( -1 * x * inv_xval_at_0p5 * 0.6931 ); |
| CInvGeometricFunc | Ramps slowly from the starting value to the final value Non-zero for x = 0. Doesn't really start at (0,0). func(x) = exp( -1 * ( 1 - x ) / ( 1 - xval_at_0p5 ) * 0.6931 ); |
| CRampingMover | |
| CRampingMoverCreator | |
| CRepeatMover | A Mover that repeats an input Mover a user-specified number of times |
| CReplicaExchangeMC | |
| CResId | |
| CSimulatedTempering | |
| CStructureRestrictor | |
| CTrialCounter | |
| CMonteCarloUtil | MCResetMover applies a monte carlo reset |
| CTrialMover | A TrialMover applies a Mover and then accepts or rejects the move according to a MonteCarlo object |
| CVectorPoseMover | Designates a mover that can be passed multiple poses by the VectorPoseJobDistributor Any movers deriving from this subclass can then act on all of the input poses simultaneously Only accessible through recon application |
| CWhileMover | |
| CPoseCondition | |
| ►Nmpi_refinement | |
| CClusterer | |
| CMPI_Refine_Emperor | |
| CMPI_Refine_Master | |
| CMPI_Refinement | |
| CMultiObjective | |
| CMethodParams | |
| CScheduler | |
| CSerial_Refine | |
| CStructAvrgMover | |
| CWorkUnit_CombinePose | |
| CWorkUnit_NormalMode | |
| CWorkUnit_RamaPerturber | |
| CWorkUnit_LoopHash | |
| CWorkUnit_FragInsert | |
| CWorkUnit_KicCloser | |
| CWorkUnit_PartialAbinitio | |
| CWorkUnit_bbGauss | |
| CWorkUnit_MD | |
| CWorkUnit_Relax | |
| CWorkUnit_Sampler | |
| ►Nmultistage_rosetta_scripts | |
| ►Ncluster | |
| ►Nmetrics | |
| CJumpMetric | |
| CJumpMetricCreator | |
| CSequenceMetric | |
| CSequenceMetricCreator | |
| CClusterMetric | |
| CClusterMetricCreator | |
| CClusterMetricFactory | |
| CClusterMetricRegistrator | This templated class will register an instance of an ClusterMetricCreator (class T) with the ClusterMetricFactory. It will ensure that no ClusterMetricCreator is registered twice, and centralizes this registration logic so that thread safety issues can be handled in one place |
| Cmover_or_filter | |
| CMRSJob | |
| CJobResultID_hash | |
| CPoseForPoseID | We do not want to load all of the input poses into memory at once. Instead we use this struct to keep track of the most recent pose loaded (which is assumed to be the most likely one we are going to need next) |
| CSortByLowEnergy | |
| CMRSJobQueen | Job Queen for MultiStage Rosetta Scripts (MRS) |
| CMRSJobQueenChecker | |
| CMRSJobSummary | |
| CNoFailDataMap | This class does not fail when you try to add an element that already exists. Instead, it just keeps the older element |
| CParsedTagCache | |
| CTagManager | |
| ►Nmultistate_design | |
| CMetricCalculatorFitnessFunction | |
| CMultiStateAggregateFunction | |
| CMultiStateEntity | |
| CMultiStateFitnessFunction | |
| CPosType | |
| CPosTypeCreator | |
| CMultiStatePacker | |
| CPackingState | |
| CPartitionAggregateFunction | |
| CSingleState | |
| CSingleStateEntityData | |
| CSingleStateFitnessFunction | |
| ►Nncbb | |
| ►Noop | |
| COopCreatorMover | |
| COopCreatorMoverCreator | |
| COopDockDesignProtocol | |
| COopDockDesignProtocolCreator | |
| CNcbbDockDesignProtocol | |
| CNcbbDockDesignProtocolCreator | |
| CResidueReplacementRebuildMover | A simple method to mutate a pose fairly destructively, and barely recover |
| CResidueReplacementRebuildMoverCreator | |
| CSecStructFinder | |
| CSecStructFinderCreator | |
| CSecStructMinimizeMover | |
| CSecStructMinimizeMoverCreator | |
| CSecStructMinimizeMultiFunc | Class for fitting a length of secondary structure keeping the same dihedrals |
| ►Nneighbor | |
| CNeighborhood | A class to determine the neighborhood of a set of residues within a pose |
| ►Nnetwork | |
| ►CNetworkQueue | |
| CServerAddress | |
| CWorkUnit | |
| CUIMover | |
| CUIObserver | Special Observer which apply UIObserver if Pose is changed |
| ►Nnmr | |
| ►Npcs | |
| CPCSEnergy | |
| CPCSEnergyCreator | |
| CAtomGridPoint | Two utility classes used by the PCSLigandTranformMover |
| CAtomGrid | |
| ►CPCSLigandTransformMover | |
| CLMMinPCSDataRef | Utility class of PCSLigandTransformMover which holds references to PCSData used in lmmin (Levenberg Marquardt minimization) function |
| CPCSLigandTransformMoverCreator | |
| CPCSTensorOptimizer | |
| ►Npre | |
| CPREEnergy | |
| CPREEnergyCreator | |
| CPREDistanceRecord | |
| CPREMover | |
| CPREMoverCreator | |
| ►Nrdc | |
| CRDCEnergy | |
| CRDCEnergyCreator | |
| CParaNMRScoreMover | |
| CParaNMRScoreMoverCreator | |
| ►Nnoesy_assign | |
| CCovalentCompliance | WARNING WARNING WARNING THIS SINGLETON CLASS HOLDS NON-CONST JOB-SPECIFIC DATA AND MAKES EVERYTHING THAT RELIES ON IT THREAD-UNSAFE. THIS IS NOT HOW SINGLETONS SHOULD BE USED |
| ►CCrossPeak | |
| CSpin | Single dimension of a multidimensional peak, stores putative assignments as indices into Resonance table |
| CCrossPeak3D | |
| CCrossPeak4D | |
| CCrossPeakInfo | Shared information about CrossPeak (one for each proton dimension) |
| CCrossPeakList | |
| CDistanceScoreMover | Maintains a list of constraints_ (each PeakAssignment yields one) and peak_constraints_ ( each cross peak with multiple assignments creates one AmbiguousNMRConstraint ). the DistanceMover (prepare scoring and apply directly interacts with the Dk term in CrossPeak (set_decoy_compatibility) |
| CEXCN_NoesyAssign | |
| CEXCN_UnknownAtomname | |
| CEXCN_UnknownResonance | |
| CEXCN_AssignmentNotFound | |
| CEXCN_FileFormat | |
| CFloatingResonance | |
| CFoldResonance | |
| ►CFragsToAtomDist | |
| CDistanceRecord | |
| CLabelResonance | |
| CMethylNames | |
| CMethylNameLibrary | |
| CNoesyModule | WARNING WARNING WARNING THREAD UNSAFE FOR USING THE COVALENTCOMPLIANCE CLASS IN A NON-CONST WAY |
| CPeakAssignment | Fast access to assignments that are stored in CrossPeak – similar to FragID WARNING WARNING WARNING THREAD UNSAFE. THIS CLASS USES THE FUNCTION covalent_compliance WHICH RELIES ON THREAD-UNSAFE SINGLETON CovalentCompliance |
| CPeakAssignmentParameters | |
| CPeakAssignmentResidueMap | Fast access to assignments by residue number |
| CPeakCalibrator | |
| CPeakCalibratorMap | |
| CPeakFileFormat_Base | |
| CPeakFileFormat | |
| CPeakFileFormat_xeasy | |
| CPeakFileFormat_Sparky | |
| CPeakFileFormat_xpk | |
| CProtonResonance | |
| CResonance | |
| CResonanceList | |
| CStructureDependentPeakCalibrator | |
| CStructureIndependentPeakCalibrator | |
| ►Nnonlocal | |
| CBiasedFragmentMover | |
| CChunk | |
| CHelixRotate | |
| CPolicy | |
| CPolicyFactory | |
| CRegion | |
| CSheetTranslate | |
| CSimpleTreeBuilder | |
| CSingleFragmentMover | |
| CSingleFragmentMoverCreator | |
| ►CSmoothPolicy | |
| CCandidate | |
| CStarTreeBuilder | |
| CTreeBuilder | |
| CTreeBuilderFactory | |
| CUniformPolicy | |
| ►Nnormalmode | |
| CContactStruct | |
| CNormalMode | |
| CNormalModeMinimizer | High-level atom tree minimizer class |
| CNormalModeMinimizerCreator | |
| CNormalModeMultifunc | Atom tree multifunction class |
| CNormalModeRelaxMover | |
| CNormalModeRelaxMoverCreator | |
| ►Noptimize_weights | |
| CDDGBindOptEData | |
| CDGBindOptEData | Score a "bound" and an "unbound" structure, and minimize the squared error between the difference in their scores and the experimental delta_G of binding |
| CScaleAnnealerTemperatureOperation | |
| CIterativeOptEDriver | |
| CNestedEnergyTermPNatAAOptEPositionData | |
| CNestedEnergyTermDDGMutationOptEData | |
| CPNatAAOptERotamerData | |
| CPNatRotOptERotamerData | |
| CSingleStructureData | |
| COptEPositionData | |
| CPNatAAOptEPositionData | |
| CPSSMOptEPositionData | |
| CPNatRotOptEPositionData | |
| CPNatStructureOptEData | |
| CDDGMutationOptEData | |
| CWeightRangeConstraint | |
| CConstraintedOptimizationWeightFunc | |
| COptEPositionDataFactory | |
| COptEData | |
| COptEMultifunc | OptE mode multifunction class |
| CWrapperOptEMultifunc | OptE mode multifunction class |
| COptEVariableExpression | |
| CWrappedOptEExpressionCreator | |
| CPNatLigPoseOptEData | |
| ►Npack_daemon | |
| CVectorExpression | |
| CVariableVectorExpression | |
| CIterativeVectorExpression | |
| CVectorFunction | |
| CVectorFunction2 | |
| CMean | |
| CVMax | |
| CVMin | |
| CVMaxBy | Take two vector expressions of equal length; returns the value from position i in expression 2 where position i is the position with the largest value in expression 1 |
| CVMinBy | Take two vector expressions of equal length; returns the value from position i in expression 2 where position i is the position with the smallest value in expression 1 |
| CPowExpression | |
| CExpExpression | |
| CLnExpression | |
| CInSetExpression | Returns "true" if the expression ex evaluates to one of a set of indicated values |
| CSurrogateVariableExpression | Stores the result of the surragate expression as if this expression were a variable, but defers to the root expression for questions of deriviatives and which variables are active (this is not a real variable) |
| CVectorExpressionCreator | |
| CStructureFileNames | |
| CDynamicAggregateFunction | |
| CDynamicAggregateFunctionDriver | |
| CEntityFuncExpressionCreator | |
| CEntityFunc | |
| CEntityCorrespondence | |
| CMultistateAggregateFunction | |
| CEntityHistoryLT | |
| CTopEntitySet | |
| CMultistateFitnessFunction | |
| CMPIMultistateFitnessFunction | |
| CPackDaemon | |
| CDaemonSet | |
| CNPDPropCalculator | |
| CNPDPropCalculatorCreator | |
| CQuickRepacker | |
| CBasicSimAnnealerRepacker | |
| CRotamerSubsetRepacker | |
| CDenseIGRepacker | |
| CDoubleDenseIGRepacker | |
| CFASTER_IG_Repacker | |
| ►Npack_interface | |
| CProteinProteinInterfaceUpweighter | Class to alter a packer task to speficially upweight the protein-protein interaction energies |
| CProteinProteinInterfaceUpweighterTaskOperationCreator | |
| ►Nparser | |
| CBluePrint | |
| CConstraintGeneratorLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CConstraintGeneratorLoaderCreator | |
| CDatabaseSessionLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CDatabaseSessionLoaderCreator | |
| CDataLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CDataLoaderCreator | A class for creating new instances of DataLoaders for use in the XML Parser |
| CDataLoaderFactory | A factory for creating DataLoaders, which are able to load arbitrary data into the basic::datacache::DataMap used in the XML-based parser. This factory supports the load-time registration scheme allowing DataLoaders to be defined in libraries outside of protocols.lib |
| CDataLoaderRegistrator | This templated class will register an instance of an DataLoaderCreator (class T) with the DataLoaderFactory. It will ensure that no DataLoaderCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CFragmentReader | |
| CFragSetLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CJumpSelectorLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CJumpSelectorLoaderCreator | |
| CMonteCarloLoader | The MonteCarloLoader will create named MonteCarlo objects and load them into the basic::datacache::DataMap |
| CMoveMapFactoryLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CMoveMapFactoryLoaderCreator | |
| CPackerPaletteLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CPackerPaletteLoaderCreator | |
| CResidueSelectorLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CResidueSelectorLoaderCreator | |
| CResLvlTaskOperationLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CScoreFunctionLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CSimpleMetricLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| CSimpleMetricLoaderCreator | |
| CScoreFunctionLoaderCreator | |
| CTaskOperationLoaderCreator | |
| CResLvlTaskOperationLoaderCreator | |
| CFragSetLoaderCreator | |
| CMonteCarloLoaderCreator | |
| CTaskOperationLoader | A class for loading arbitrary data into the XML parser's basic::datacache::DataMap |
| ►Npb_potential | |
| CSetupPoissonBoltzmannPotential | |
| CSetupPoissonBoltzmannPotentialCreator | |
| ►Npdbinfo_manipulations | |
| CSequenceSpecification | Rosetta defines the pdbinfo of an object via possible chain IDs, segment IDs, and insertion codes |
| CAlignPDBInfoToSequences | Realign poses to sequences after losing pdb_info |
| CAlignPDBInfoToSequencesCreator | |
| ►Npeptide_deriver | |
| CPeptideDeriverBasicStreamOutputter | Outputs a Peptiderive report to a stream in a basic, easily parsable format |
| CCyclizedPeptideInfo | |
| CDerivedPeptideEntry | |
| CPeptideDeriverFilter | Implementation of the Peptiderive protocol - given a pose, it evaluates the binding energy of linear stretches, of given lengths, and indicates which of these contributes more than others to the interaction energy. It also reports on and optionally models cyclizable peptides |
| CPeptideDeriverFilterCreator | |
| ►CPeptideDeriverMarkdownStreamOutputter | Outputs a Markdown formatted Peptiderive report to a stream |
| CCyclizedReportInfo | |
| CPeptideDeriverOutputter | Abstract base class for handling calculation outputs from PeptideDeriverFilter Since PeptideDeriverFilter might have a set of outputs for each residue, for each chain in each chain-pair, outputting is quite elaborate. This is an attempt to decouple the calculation from the representation of results. Representation of results is delegated to implementors of this class |
| CPeptideDeriverOutputterContainer | Container class which holds a list of PeptideDeriverOutputter instances and delegates calls to those |
| CPeptideDeriverPoseOutputter | Outputs poses at different points of the Peptiderive protocol, according to the given set of options |
| ►Npmut_scan | |
| CAlterSpecDisruptionDriver | |
| CMutationData | |
| CMutant | |
| CPointMutScanDriver | |
| ►Npockets | |
| CDarcParticleSwarmMinimizer | |
| Cspherical_coor_triplet | |
| Ctriplet_and_originnum | |
| Cray_distance_derivs | |
| CFingerprintBase | |
| CNonPlaidFingerprint | |
| CPlaidFingerprint | |
| CFingerprintMultifunc | Atom tree multifunction class |
| CSmallMol | |
| CUnionEdge | |
| CGenPharmacophore | |
| CPocketConstraint | This constraint favors creating a pocket suitable for a small-molecule |
| CPocketConstraintCreator | Mover creator for the PocketConstraint constraint |
| CPocketExemplarMultifunc | Pocket multifunction class, does objective function of optimization |
| ►CPCluster | @ Cluster of Pocket points |
| CCxyz | |
| CPClusterSet | @ Set of cluster of pocket points |
| ►CCCluster | @ Cluster of exemplar points |
| CCxyz | |
| CCClusterSet | @ Set of clusters of exemplar points |
| CPocketGrid | @ |
| CTargetPocketGrid | @ |
| CEggshellGrid | @ |
| CElectrostaticpotentialGrid | |
| CComparisonGrid | @ |
| ►Npose_creation | |
| CExtendedPoseMover | |
| CExtendedPoseMoverCreator | |
| ►CMakeJunctionsMover | |
| CDesign | |
| CMakeJunctionsMoverCreator | |
| CMakePolyXMover | |
| CMakePolyXMoverCreator | |
| CMergePDBatOverlapMover | |
| CMergePDBatOverlapMoverCreator | |
| ►CMergePDBMover | |
| COverlap | |
| CMergePDBMoverCreator | |
| CPoseFromSequenceMover | A class for generating a pose from a sequence/fasta |
| CPoseFromSequenceMoverCreator | |
| ►CSliceToMiniProteinMover | |
| CChunk | |
| CSSElement | |
| CSliceToMiniProteinMoverCreator | |
| ►Npose_length_moves | |
| CAnalyzeLoopModeling | |
| CAnalyzeLoopModelingCreator | |
| CChain | |
| CConnectChainsMover | |
| Cchain_lt | |
| CConnectChainsMoverCreator | |
| CFixAllLoopsMover | |
| CFixAllLoopsMoverCreator | |
| CInsertResMover | |
| CInsertResMoverCreator | |
| CPossibleLoop | |
| CBackboneStubRMSDComparator | |
| CFinalRMSDComparator | |
| CNearNativeLoopCloser | |
| CNearNativeLoopCloserCreator | |
| ►Npose_metric_calculators | |
| CCatPiCalculator | |
| CChargeCalculator | |
| CClashCountCalculator | |
| CEnergiesData | |
| CEmptyVertexData | |
| CDecomposeAndReweightEnergiesCalculator | |
| CFragQualCalculator | |
| CHPatchCalculator | |
| CInterGroupNeighborsCalculator | |
| CMetricValueGetter | |
| CNeighborhoodByDistanceCalculator | |
| CNeighborsByDistanceCalculator | |
| CNonlocalContactsCalculator | |
| CPackstatCalculator | |
| CPiPiCalculator | |
| CResidueDecompositionByChainCalculator | |
| CResidueDecompositionCalculator | |
| CRotamerBoltzCalculator | |
| CRotamerRecovery | |
| CSaltBridgeCalculator | |
| CSemiExplicitWaterUnsatisfiedPolarsCalculator | |
| CSequenceComparison | |
| CSHOBuriedUnsatisfiedPolarsCalculator | |
| CSurfaceCalculator | |
| ►Npose_reporters | |
| CEnergyReporterCreator | |
| CFilterReporterCreator | |
| CRMSDReporterCreator | |
| CEnergyReporter | Report the pose score or a specific energy term |
| CFilterReporter | Use a RosettaScripts filter as a reporter |
| CRMSDReporter | Report the RMSD between two poses |
| ►Npose_selectors | |
| CAndSelectorCreator | |
| COrSelectorCreator | |
| CTopNByPropertyCreator | |
| CFilterCreator | |
| CLogicalSelector | Logical boolean selector base class |
| CAndSelector | AND Selector: select poses that were selected by all child selectors |
| COrSelector | OR Selector: select poses that were selected by any child selectors |
| CTopNByProperty | Select top N poses by a specific pose property |
| CFilter | Use existing RosettaScripts filter as a post selector |
| CClusterPoseSelector | Cluster poses by some real property as reported by the connected reporter (RMSD, ...) |
| CClusterPoseSelectorCreator | |
| ►Npose_sewing | |
| ►Ndata_storage | |
| CDsspShiftArray | A container for an array of secondary structure boundaries |
| CPoseSegment | Region of a Pose with contiguous secondary structure |
| CPoseWithTerminalSegmentsOfKnownDSSP | Region of a Pose with secondary structures of known DSSP at either teminus |
| CSegmentEnvelope | Descriptor of properties a SewAnything secondar structral segment may have |
| CTerminalDSSPSortedPoseVector | Vector of Poses sorted by the secondary structure of the termini |
| ►Nfilters | |
| CCSSettings | |
| CCoreScorer | Filter that evaluates pairwise MotifScores |
| CCoreScorerCreator | |
| CHasDisulfideFilter | Filters based on disulfide presence |
| CHasDisulfideFilterCreator | |
| ►Nmovers | |
| CAddFlankingVirtualResiduesMover | Adds virtual residues to either side of a given Pose |
| CAddFlankingVirtualResiduesMoverCreator | |
| CBlockwiseAnalysisMover | Analyzes pairs of interacting elements |
| CBlockwiseAnalysisMoverCreator | |
| COmnibusDisulfideAnalysisLabelerMover | Reports information about disulfides |
| COmnibusDisulfideAnalysisLabelerMoverCreator | |
| CSeedSettings | |
| CPickRandomSegmentMover | Replaces pose with a random starting segment from a segment file |
| CPickRandomSegmentMoverCreator | |
| CSewAnythingAddMover | Settings for SewAnything. This is stored for each SS |
| CSewAnythingAddMoverCreator | |
| ►Nsimple_metrics | |
| CBlockwisePoseCompMotifMetric | Composite metric returning motif scores that pass per block |
| CBlockwisePoseCompMotifMetricCreator | |
| CBlockwiseShapeCompMetric | Composite metric returning shape complementarities that pass per block |
| CBlockwiseShapeCompMetricCreator | |
| CMinimumInterAlphaDistanceMetric | Min dist |
| CMinimumInterAlphaDistanceMetricCreator | |
| CWindowPoseCompMotifMetric | Composite metric returning motif scores per window |
| CWindowPoseCompMotifMetricCreator | |
| ►Nprotein_grid | |
| CProteinGrid | |
| ►Nprotein_interface_design | |
| ►Nfilters | |
| CAtomicContactCountFilter | |
| CAtomicContactCountFilterCreator | |
| CAverageDegreeFilter | |
| CAverageDegreeFilterCreator | |
| CBindingStrainFilter | |
| CBindingStrainFilterCreator | |
| CBoltzmannFilter | |
| CBoltzmannFilterCreator | |
| CClashWithTargetFilter | |
| CClashWithTargetFilterCreator | |
| CDesignableResiduesFilter | |
| CDesignableResiduesFilterCreator | |
| CDisulfideFilter | Filters for structures which could form a disulfide bond across the docking interface |
| CDisulfideFilterCreator | |
| CFilterScanFilter | |
| CFilterScanFilterCreator | |
| CFNatFilter | |
| CFNatFilterCreator | |
| CHbondsToAtomFilter | Returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class |
| CHbondsToAtomFilterCreator | |
| CHbondsToResidueFilter | Returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class |
| CHbondsToResidueFilterCreator | |
| CInterfaceHolesFilter | |
| CInterfaceHolesFilterCreator | |
| CIRmsdFilter | |
| CIRmsdFilterCreator | |
| CLRmsdFilter | |
| CLRmsdFilterCreator | |
| CRelativeSegmentFilter | Returns the residues aligned to a segment on the input pdb to the source pdb |
| CRelativeSegmentFilterCreator | |
| CRmsdFilter | |
| CRmsdFilterCreator | |
| CRmsdSimpleFilter | |
| CRmsdSimpleFilterCreator | |
| CSequenceRecoveryFilter | |
| CSequenceRecoveryFilterCreator | |
| CSpecificResiduesNearInterfaceFilter | |
| CSpecificResiduesNearInterfaceFilterCreator | |
| CSSamountFilter | |
| CSSamountFilterCreator | |
| CStubScoreFilter | |
| CStubScoreFilterCreator | |
| CStubScoreLoopsFilter | |
| CStubScoreLoopsFilterCreator | |
| CTorsion | |
| CTorsionCreator | |
| ►Nmovers | |
| CAddChainBreak | Mover that sets a chainbreak in a specified position |
| CAddChainBreakCreator | |
| CAddSidechainConstraintsToHotspots | |
| CAddSidechainConstraintsToHotspotsCreator | |
| CBackrubDDMover | |
| CBackrubDDMoverCreator | |
| CBestHotspotCstMover | Remove all HotspotCst's from the pose except the best X |
| CBestHotspotCstMoverCreator | |
| CBuildAlaPose | Designs alanine residues in place of the residue identities at the interface. Retains interface glycines and prolines |
| CBuildAlaPoseCreator | |
| CDesignMinimizeHbonds | Used to design a protein to hbond preferentially to a set of target residues on the partner. Hbonds involving backbone or sidechain on the target can be counted, and whether to design donors or acceptors can also be defined |
| CDesignMinimizeHbondsCreator | |
| CDisulfideMover | |
| CDisulfideMoverCreator | |
| CDockAndRetrieveSidechains | |
| CDockAndRetrieveSidechainsCreator | |
| CDockWithHotspotMover | A mover to mutate a single residue |
| CDockWithHotspotMoverCreator | |
| CFavorNativeResiduePreCycle | |
| CFavorNativeResiduePreCycleCreator | |
| CFavorNonNativeResiduePreCycle | |
| CFavorNonNativeResiduePreCycleCreator | |
| CHotspotDisjointedFoldTreeMover | |
| CHotspotDisjointedFoldTreeMoverCreator | |
| CHotspotHasherMover | |
| CHotspotHasherMoverCreator | |
| CInterfaceRecapitulationMover | Pure virtual base class for movers which redesign and repack the interface |
| CInterfaceRecapitulationMoverCreator | |
| CLoopFinder | |
| CLoopFinderCreator | |
| CLoopLengthChange | Designs alanine residues in place of the residue identities at the interface. Retains interface glycines and prolines |
| CLoopLengthChangeCreator | |
| CLoopMoverFromCommandLine | |
| CLoopMoverFromCommandLineCreator | |
| CLoopOver | Essentially the same as the WhileMover but allows parsing and cloning. Will be removed at a future point. This should now be incorporated into WhileMover |
| CLoopOverCreator | |
| CLoopRemodel | |
| CLoopRemodelCreator | |
| CMapHotspot | |
| CMapHotspotCreator | |
| CPatchdockTransform | Wrapper around protocols::protein_interface_design::PatchdockReader class. That class is derived from JobInputter and handles input situations that involve patchdock output files. Here, we provide an entry point for a patchdock transformation within the RosettaScripts trajectory |
| CPatchdockTransformCreator | |
| CPeptideStapleDesignMover | Introduces a peptide staple (ala G. Verdine) to the pose |
| CPeptideStapleDesignMoverCreator | |
| CPlacementAuctionMover | |
| CPlacementAuctionMoverCreator | |
| CPlacementMinimizationMover | Simple rb-minimization in a bb-stub constraint biased forcefield. Note that this mover is dependent on a placement mover for setting its stubsets |
| CPlacementMinimizationMoverCreator | |
| CPlaceOnLoop | |
| CPlaceOnLoopCreator | |
| CPlaceSimultaneouslyMover | Choose a stub based on mc sampling, and place it on the pose. Iterates over stubs until one matches criteria |
| CPlaceSimultaneouslyMoverCreator | |
| CCoordinateConstraintStack | |
| CPlaceStubMover | Choose a stub based on mc sampling, and place it on the pose. Iterates over stubs until one matches criteria |
| CPlaceStubMoverCreator | |
| CPrepackMover | |
| CPrepackMoverCreator | |
| CProteinInterfaceMultiStateDesignMover | Wraps protein-interface specific considerations around the general multistate design / genetic algorithm framework |
| CProteinInterfaceMultiStateDesignMoverCreator | |
| CRandomMutation | Designs alanine residues in place of the residue identities at the interface. Retains interface glycines and prolines |
| CRandomMutationCreator | |
| CRepackMinimize | One round of design/repacking followed by interface sc/bb and rigid-body minimization |
| CRepackMinimizeCreator | |
| CSaveAndRetrieveSidechains | Saves a pose and reapplies its sequence and rotamers at a later stage. The constructor saves the initial pose, and then any calls to apply replace the residues on the input pose with that saved pose. Notice, that only ALA positions will be replaced, so this is meant to work strictly along with BuildAlaPose moves. This way, if in the design process an interface residue is designed, that will not be reverted to w/t |
| CSaveAndRetrieveSidechainsCreator | |
| ►CSecretionOptimizationMover | |
| Cmutt | |
| Ctm_region | |
| CSecretionOptimizationMoverCreator | |
| CSetAtomTree | Mover that sets a user-defined atom tree |
| CSetAtomTreeCreator | |
| CSetTemperatureFactor | Set the temperature (b-)factor column in the PDB according to som filter's value. The filter needs to be ResId-compatible, i.e. to report values on a per-residue basis |
| CSetTemperatureFactorCreator | |
| CSetupHotspotConstraintsLoopsMover | |
| CSetupHotspotConstraintsLoopsMoverCreator | |
| CSetupHotspotConstraintsMover | |
| CSetupHotspotConstraintsMoverCreator | |
| CShoveResidueMover | |
| CShoveResidueMoverCreator | |
| CSpinMover | |
| CSpinMoverCreator | |
| CSubroutineMover | |
| CSubroutineMoverCreator | |
| CTaskAwareCsts | Applies csts (currently only coordinate csts) to every designable position in pose according to taskoperations |
| CTaskAwareCstsCreator | |
| CTopologyBrokerMover | Designs alanine residues in place of the residue identities at the interface. Retains interface glycines and prolines |
| CTopologyBrokerMoverCreator | |
| CTryRotamers | |
| CTryRotamersCreator | |
| CVLBInstruction | |
| CVLB | User interface for YAB's Variable Length Build |
| CVLBCreator | |
| CReportSequenceDifferences | |
| CRevert | |
| CFavorNativeResidue | |
| CFavorNonNativeResidue | |
| CParserJobInputter | |
| CParserJobInputterCreator | |
| CTransformation | |
| CPatchdockReader | |
| CReportPSSMDifferences | |
| ►Nprotein_mpnn | |
| CProteinMPNNMover | This mover uses the given pose and threads the predicted sequence from the ProteinMPNN model onto it |
| CProteinMPNNMoverCreator | |
| CProteinMPNNProbabilitiesMetric | A metric for estimating amino acid probabilities using the ProteinMPNN model |
| CProteinMPNNProbabilitiesMetricCreator | |
| ►Nptm_prediction | |
| CPTMPredictionMetric | A metric for estimating the probability of a given residue(s) to be modified, as predicted by a pre-trained neural network |
| CPTMPredictionMetricCreator | |
| CPTMPredictionTensorflowProtocol | Analyze a given residue or residues in a pose, returning an modifcation probability (ranging from 0 to 1) |
| CPTMPredictionTensorflowProtocolBase | A pure virtual class, derived from RosettaTensorflowProtocolBase, which will serve as a base for protocols for predicting post-translational modifications in proteins |
| ►Nqsar | |
| ►Nscoring_grid | |
| CAtrGrid | |
| CAtrGridCreator | |
| CChargeAtom | Very light representation of an atom that is just a charge and a cartesian space position |
| CChargeGrid | |
| CChargeGridCreator | |
| CClassicGrid | |
| CClassicGridCreator | |
| CConstantScoreBase | |
| CGridBase | |
| CGridCreator | Abstract class fora mover factory. The creator class is responsible for creating a particular mover class |
| CGridRegistrator | This templated class will register an instance of a GridCreator (class T) with the GridFactory. It will ensure that no GridCreator is registered twice and centralizes the registration logic |
| CGridFactory | |
| CGridManager | |
| CGridSet | A set of related grids |
| CHbaGrid | |
| CHbaGridCreator | |
| CHbdGrid | |
| CHbdGridCreator | |
| CLigandPropertyScore | |
| CLigandPropertyScoreCreator | |
| CLipidMemGrid | |
| CLipidMemGridCreator | |
| CPCSMultiGrid | |
| CPCSMultiGridCreator | |
| CPCSSingleGrid | |
| CPCSSingleGridCreator | |
| CRepGrid | |
| CRepGridCreator | |
| CScoreNormalization | |
| CHeavyAtomNormalization | |
| CAllAtomNormalization | |
| CChiAngleNormalization | |
| CMolecularWeightNormalization | |
| CScoringGridLoader | A class for loading ScoringGrids into the XML parser's basic::datacache::DataMap |
| CScoringGridLoaderCreator | |
| CShapeGrid | |
| CShapeGridCreator | |
| CSingleGrid | |
| CSiteGrid | |
| CSiteGridCreator | |
| CSolvationGrid | |
| CSolvationGridCreator | |
| CSolvationMetaGrid | |
| CSolvationMetaGridCreator | |
| CVdwGrid | |
| CVdwGridCreator | |
| CqsarPoint | |
| CqsarMap | |
| CqsarMover | |
| CqsarCreator | |
| CqsarOptData | |
| CqsarOptFunc | |
| CColorGradient | |
| CRenderGridsToKinemage | |
| CRenderGridsToKinemageCreator | |
| ►Nquantum_annealing | |
| CExternalPackerResultLoader | A mover that reads the result of an externally-called packer, and applies it to a pose to generate a structure |
| CExternalPackerResultLoaderCreator | |
| CInteractionGraphSummaryMetric | A simple metric that allows an InteractionGraph to be written out in a format that external annealers (including quantum annealers) can read |
| CInteractionGraphSummaryMetricCreator | |
| ►Nrbsegment_relax | |
| CCCDMoveWrapper | |
| CAutoRBMover | |
| CConfChangeMover | |
| CConfChangeMoverCreator | |
| CFragInsertAndAlignMover | Performs a rigid-body movement on a segment of a protein Derived classes must implement 'getCoordinateTransform' and 'apply' |
| CIdealizeHelicesMover | |
| CIdealizeHelicesMoverCreator | |
| CMakeStarTopologyMover | |
| CMakeStarTopologyMoverCreator | |
| COptimizeThreadingMover | |
| COptimizeThreadingMoverCreator | |
| CRBResidueRange | RB residue range |
| CRBSegment | Rigid-body segments in a protein |
| CRB_lt | |
| CRBSegmentMover | Performs a rigid-body movement on a segment of a protein Derived classes must implement 'getCoordinateTransform' and 'apply' |
| CHelicalGaussianMover | |
| CSequenceShiftMover | |
| CGaussianRBSegmentMover | |
| CStrandTwistingMover | |
| CRBSegmentRelax | |
| ►Nrecces | |
| ►Noptions | |
| CRECCES_Options | |
| ►Nparams | |
| CRECCES_Parameters | |
| ►Nsampler | |
| ►Nrna | |
| CMC_RNA_KIC_Sampler | |
| CMC_RNA_MultiSuite | |
| CMC_RNA_OneJump | |
| CMC_RNA_Sugar | |
| CMC_RNA_Suite | |
| CMC_Any | |
| CMC_Comb | |
| CMC_Loop | |
| CMC_OneTorsion | |
| CMC_Sampler | |
| ►Nscratch | |
| CThermalMinimizer | Use a simulated tempering simulation to refine a pose |
| CThermalMinimizerCreator | |
| CThermalSamplingMover | Use a simulated tempering simulation to refine a pose |
| CThermalSamplingMoverCreator | |
| CHistogram | |
| CRECCES_Mover | |
| ►Nrecon_design | |
| CFindConsensusSequence | Takes in multiple poses from the VectorPoseJobDistributor and finds the consensus sequence that optimizes energy of all input poses. Used in conjuction with MSDMover at the end of a protocol to make sure that you end up with one multistate solution. Only accessible through recon application |
| CFindConsensusSequenceCreator | |
| CFitnessFilter | Returns the sum of energy of input poses. Only accessible through recon application |
| CFitnessFilterCreator | |
| CMSDMover | Multistate design mover used for RECON multistate design Takes in multiple poses, applies residue linking constraints based on sequence of all input poses and runs a design submover that has been specified in the tag Only accessible through recon application |
| CMSDMoverCreator | |
| ►Nrelax | |
| ►Nloop | |
| CLoopRelaxMover | |
| CLoopRelaxMoverCreator | |
| ►Nmembrane | |
| CMPFastRelaxMover | |
| CMPFastRelaxMoverCreator | Mover Creator |
| CMPRangeRelaxMover | |
| CAcceptToBestMover | |
| CAcceptToBestMoverCreator | |
| CAtomCoordinateCstMover | |
| CAtomCoordinateCstMoverCreator | |
| ►CCentroidRelax | Relax a pose using Frank Dimaio's smooth centroid statistics. Currently under optimization |
| Cparameters | Container for ramp settings |
| CClassicRelaxCreator | |
| CClassicRelax | A functor class which implements the classic Rosetta++ pose_relax protocol |
| CSRelaxPose | |
| CRelaxScriptCommand | |
| CVariableSubstitutionPair | |
| CFastRelax | |
| CFastRelaxCreator | |
| CLocalRelax | |
| CLocalRelaxCreator | |
| CMiniRelax | |
| CRangeRelaxMover | |
| CRelaxProtocolBase | |
| CDatabaseRelaxScript | Represents a single line of database/sampling/relax_scripts/index.dat |
| CEnergyMapContainer | A class for storing energy maps, since they're not created by owning pointer by default |
| CRelaxScriptFileContents | A simple wrapper class to store a vector of file contents |
| CRelaxScriptManager | A singleton class for managing relax scripts, to ensure that they are loaded once and only once from disk |
| CRepeatProteinRelax | |
| CRepeatProteinRelaxCreator | |
| CWorkUnit_BatchRelax | |
| CWorkUnit_BatchRelax_and_PostRescore | |
| ►Nresidue_optimization | |
| CMetapatchEnumeration | |
| ►Nresidue_selectors | |
| CHBondSelector | |
| CHBondSelectorCreator | |
| CLigandMetalContactSelector | This residue selector takes a selector or residue number of a ligand and returns any residues in contact with metal atoms in the ligand |
| CLigandMetalContactSelectorCreator | |
| CNativeSelector | |
| CNativeSelectorCreator | |
| CStoredResidueSubsetSelector | The StoredResidueSubsetSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are located near the given selected residues in primary sequence space |
| CStoredResidueSubsetSelectorCreator | |
| CStoreResidueSubsetMover | Mover that can be used to save or restore a task at an arbitrary point during a rosetta scripts protocol. other task operations, movers, or filters can be set up to access tasks saved by this mover during their apply calls |
| CStoreResidueSubsetMoverCreator | |
| CTaskSelector | The TaskSelector returns a ResidueSubset, i.e. a utility::vector1< bool > containing 'true' for residue positions which are located near the given selected residues in primary sequence space |
| CTaskSelectorCreator | |
| ►Nrigid | |
| CMovePoseToMembraneCenterMover | Move pose into a membrane |
| CMembraneCenterPerturbationMover | Perturb the pose along membrane normal |
| CMembraneNormalPerturbationMover | Rotation pose around membrane center, perturb the membrane normal vector relative to the pose |
| CWholeBodyTranslationMover | Translate the whole pose |
| CWholeBodyRotationMover | Rotate the whole pose |
| CRigidBodyMotionMover | |
| CRigidBodyMover | Rigid-body random translate/rotate around centroid of downstream side of a jump |
| CRigidBodyPerturbMover | This Mover does a perturbation defined by the rotational and translational magnitudes |
| CRigidBodyPerturbRandomJumpMover | |
| CRigidBodyPerturbNoCenterMover | Does a perturbation defined by the rotational and translational magnitudes without setting up the center Can be defined through a move map or with rb_jump Defining through a movemap with multiple jumps leads to a random jump being chosen at apply time, NOT at construction time! This is done to simplify docking with more than one active jump |
| CRigidBodyRandomizeMover | |
| CRigidBodySpinMover | A Mover that spins about a random axis |
| CRigidBodyDeterministicSpinMover | |
| CRigidBodyTiltMover | A Mover that tilts around the spin axis |
| CRigidBodyTransMover | This Mover translate down an axis |
| CUniformSphereTransMover | Rigid-body move that evenly samples the space within a sphere |
| CRigidBodyDofRandomizeMover | A Mover that initializes all DOFs in the system randomly. It starts with rotation angles only |
| CRigidBodyDofSeqRandomizeMover | A Mover that initializes all DOFs in the system randomly. It starts with rotation angles only |
| CRigidBodyDofTransMover | A Mover that translates down an axis determined by the available DOFs. Translations are made along all allowed directions (x,y or z) for a selected jump |
| CRigidBodyDofSeqTransMover | A Mover that translates down an axis determined by the available DOFs. Translations are made along all allowed directions (x,y or z) for a selected jump. Jumps are visited in random order |
| CRigidBodyDofRandomTransMover | A Mover that translates down an axis determined by the available DOFs. Translations are made along all allowed directions (x,y or z) for a randomly selected jump |
| CRigidBodyDofPerturbMover | This Mover does a perturbation defined by the rotational and translational magnitudes. Allowed dofs are specified by a map. Can be defined through a move map or with rb_jump. A single jump is selected |
| CRigidBodyDofSeqPerturbMover | This Mover does a perturbation defined by the rotational and translational magnitudes. Allowed dofs are specified by a map. Can be defined through a move map or with rb_jump. All jumps are selected in random order |
| CRigidBodyTransMoverCreator | |
| CRigidBodyPerturbNoCenterMoverCreator | |
| CRigidBodyTiltMoverCreator | |
| CRollMover | |
| CRollMoverCreator | |
| CRotateJumpAxisMover | |
| CUniformRigidBodyCM | |
| CUniformRigidBodyCMCreator | |
| CUniformRigidBodyMover | |
| CUniformRigidBodyMoverCreator | |
| ►Nrna | |
| ►Ndenovo | |
| ►Ncoarse | |
| CSourcePositions | |
| CCoarseRNA_Fragments | |
| CCoarseRNA_LoopCloser | The RNA de novo structure modeling protocol |
| CMultipleDomainMover | The RNA de novo structure modeling protocol |
| ►Nmovers | |
| CRNA_DeNovoMasterMover | |
| CRNA_DeNovoProtocolMover | |
| CRNA_DeNovoProtocolMoverCreator | |
| CRNA_FragmentMover | The RNA de novo structure modeling protocol |
| CRNA_HelixMover | Rotations and translations of helix along helical axis |
| CRNA_Minimizer | The RNA de novo structure modeling protocol |
| CRNA_Relaxer | The RNA de novo structure modeling protocol |
| CRNP_HighResMover | The RNA de novo structure modeling protocol |
| ►Noutput | |
| CRNA_FragmentMonteCarloOutputter | |
| CRNA_DeNovoPoseInitializer | Object used in RNA_FragmentMonteCarlo to handle setup of pose & fold-tree, and jump changes |
| CRNA_DeNovoProtocol | The RNA de novo structure modeling protocol |
| CRNA_DeNovoProtocolCreator | |
| CRNA_FragmentMonteCarlo | |
| ►Nmovers | |
| CERRASER2Protocol | Run a single-threaded, checkpoint free, RosettaScripts accessible ERRASER2 job |
| CERRASER2ProtocolCreator | |
| CErraserMinimizerMover | |
| CErraserMinimizerMoverCreator | |
| CRNA_Coarsify | Make a fullatom RNA pose into a coarse representation |
| CRNA_CoarsifyCreator | |
| CRNA_Decoarsify | Make a coarse RNA pose into a fullatom representation |
| CRNA_DecoarsifyCreator | |
| CRNA_DeNovoOptimizer | |
| CRNA_LoopCloser | The RNA de novo structure modeling protocol |
| CRNAIdealizeMover | Slowly accomodate movement from non-ideal to ideal bond lengths and angles by repeated minimization |
| CRNAIdealizeMoverCreator | |
| CRNAThreadAndMinimizeMover | Thread a new sequence over a given RNA scaffold and do a little optimization |
| CRNAThreadAndMinimizeMoverCreator | |
| ►Nsetup | |
| CRNA_CSA_JobDistributor | |
| CRNA_JobDistributor | |
| CRNA_MonteCarloJobDistributor | |
| CAlignmentEnergy | An RMSD-type energy to a reference pose, complete with derivatives hacked out of coordinate constraints |
| CAlignmentEnergyCreator | |
| ►Nrosetta_scripts | |
| CAdditionalOutputWrapper | |
| CAdditionalOutputWrapperCreator | |
| CMultipleOutputWrapper | |
| CMultipleOutputWrapperCreator | |
| CMultiplePoseMover | |
| CMultiplePoseMoverCreator | |
| ►CParsedProtocol | |
| CParsedProtocolStep | Represents a step in the ParsedProtocol Note that one or more of mover/filter/metrics may be null/empty |
| CParsedProtocolCreator | |
| CPosePropertyReporter | |
| CPosePropertyReporterCreator | Abstract base class for a PosePropertyReporter factory; the Creator class is responsible for creating a particular PosePropertyReporter class |
| CPosePropertyReporterRegistrator | This templated class will register an instance of an PosePropertyReporterCreator (class T) with the PosePropertyReporterFactory. It will ensure that no PosePropertyReporterCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CPosePropertyReporterFactory | |
| CPoseSelector | |
| CPoseSelectorCreator | Abstract base class for a PoseSelector factory; the Creator class is responsible for creating a particular PoseSelector class |
| CPoseSelectorRegistrator | This templated class will register an instance of an PoseSelectorCreator (class T) with the PoseSelectorFactory. It will ensure that no PoseSelectorCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CPoseSelectorFactory | |
| CRosettaScriptsJobQueen | |
| CRosettaScriptsParser | Reading the xml file and generating the mover |
| CRosettaScriptsSchemaValidator | |
| CSavePoseMover | Mover that can be used to save or restore a pose at an arbitrary point during a rosetta scripts protocol. other movers or filters can be set up to access poses saved by this mover during their apply calls |
| CSavePoseMoverCreator | |
| CXmlObjects | |
| ►Nrotamer_gen | |
| CFragmentRotamers | |
| CFragmentRotamersCreator | |
| CRDKitRotamers | |
| CRDKitRotamersCreator | |
| ►Nrotamer_recovery | |
| CRotamerRecovery | |
| CRRProtocolCreator | The Creator class is responsible for creating a particular mover class |
| CRRProtocolReferenceStructureCreator | |
| CRRProtocolRTMinCreator | |
| CRRProtocolRotamerTrialsCreator | |
| CRRProtocolMinPackCreator | |
| CRRProtocolPackRotamersCreator | |
| CRRProtocolRelaxCreator | |
| CRRProtocolMoverCreator | |
| CRRComparerCreator | The Creator class is responsible for creating a particular mover class |
| CRRComparerAutomorphicRMSDCreator | |
| CRRComparerRotBinsCreator | |
| CRRComparerChiDiffCreator | |
| CRRComparerElecDensDiffCreator | |
| CRRReporterCreator | The Creator class is responsible for creating a particular mover class |
| CRRReporterSimpleCreator | |
| CRRReporterHumanCreator | |
| CRRReporterSQLiteCreator | |
| CRotamerRecoveryFactory | Create Rotamer_Recovery Reporters |
| CRotamerRecoveryRegistrator | This templated class will register an instance of an RotamerRecoveryCreator (class T) with the RotamerRecoveryFactory. It will ensure that no RotamerRecoveryCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CRotamerRecoveryMover | |
| CRotamerRecoveryMoverCreator | |
| CRRComparer | The comparison functionality for the rotamer recovery test |
| CRRComparerRotBins | |
| CRRComparerChiDiff | |
| CRRComparerAutomorphicRMSD | |
| CRRComparerElecDensDiff | |
| CRRProtocol | The protocol to run to compute the rotamer recovery the rotamer recovery test |
| CRRProtocolMinPack | |
| CRRProtocolMover | |
| CRRProtocolPackRotamers | |
| CRRProtocolReferenceStructure | |
| CRRProtocolRelax | |
| CRRProtocolRotamerTrials | |
| CRRProtocolRTMin | |
| CRRReporter | The reporting functionality for the rotamer recovery test |
| CRRReporterSimple | |
| CPerNativeRRReporterHuman | |
| CRRReporterHuman | The reporting functionality for the rotamer recovery test in a human readable format |
| CRRReporterSQLite | |
| ►NRotamerDump | |
| CRotamerDumpMover | Mover for dumping interaction graph information. The information is appended to the current job |
| ►Nrpc | |
| CBasicInit | |
| CBasicCmdLineInit | |
| CJSON_RPC | |
| ►Nsasa_scores | |
| CPoly | |
| CPPoly | |
| ►Nscore_filters | |
| CGeometryFilter | |
| CGeometryFilterCreator | |
| CScoreCutoffFilter | |
| CScoreCutoffFilterCreator | |
| CScoreTypeFilter | |
| CScoreTypeFilterCreator | |
| ►Nscoring | |
| ►Nmethods | |
| ►Npcs | |
| CGridSearchIterator | |
| CPCS_data_per_lanthanides | |
| CPCS_data | |
| CPCS_Energy | |
| CPCS_Energy_parameters_manager | |
| CPseudocontactShiftEnergyCreator | |
| CPCS_line_data | PCS_line_data class: hold a line of the input file information (.npc format) One PCS_line_data per line in the input file |
| CPCS_file_data | PCS_file_data contain all the information of a .npc file one per lanthanide |
| CPCS_data_input | PCS_data_input contain all the input information for the PCS. This includes all the information from the .npc files |
| CPCS_data_input_manager | |
| CPCS_tensor | |
| CTensorsOptimizer | |
| ►Npcs2 | |
| CGridSearchIteratorCA | |
| CPcsDataCenter | |
| CPcsDataCenterManager | |
| CPcsDataCenterManagerSingleton | |
| CPcsDataLanthanide | |
| CPcsEnergy | |
| CPcsEnergyCreator | |
| CPcsEnergyParameter | |
| CPcsEnergyParameterManager | |
| CPcsGridSearchParameter | |
| CPcsGridSearchParameterManager | |
| CPcsInputCenter | PcsInputCenter contain all the input information for one paramagnetic center. It can contain multiple data set |
| CPcsInputCenterManager | |
| CPcsInputFile | PcsInputFile contain all the information of a .npc file one per lanthanide |
| CPcsInputLine | PcsInputLine class: hold a line of the input file information (.npc format) One PcsInputLine per line in the input file |
| CPcsTensor | |
| CTensorsOptimizer | |
| CTensorsOptimizerFix | |
| CTensorsOptimizerSvd | |
| ►NpcsTs1 | |
| CGridSearchIterator_Ts1 | |
| CPCS_data_per_lanthanides_Ts1 | |
| CPCS_data_Ts1 | |
| CPCS_Energy_Ts1 | |
| CPCS_Energy_parameters_manager_Ts1 | |
| CPseudocontactShiftEnergyCreator_Ts1 | |
| CPCS_line_data_Ts1 | PCS_line_data_Ts1 class: hold a line of the input file information (.npc format) One PCS_line_data_Ts1 per line in the input file |
| CPCS_file_data_Ts1 | PCS_file_data_Ts1 contain all the information of a .npc file one per lanthanide |
| CPCS_data_input_Ts1 | PCS_data_input_Ts1 contain all the input information for the PCS. This includes all the information from the .npc files |
| CPCS_data_input_manager_Ts1 | |
| CPCS_tensor_Ts1 | |
| CTensorsOptimizer_Ts1 | |
| ►NpcsTs2 | |
| CGridSearchIterator_Ts2 | |
| CPCS_data_per_lanthanides_Ts2 | |
| CPCS_data_Ts2 | |
| CPCS_Energy_Ts2 | |
| CPCS_Energy_parameters_manager_Ts2 | |
| CPseudocontactShiftEnergyCreator_Ts2 | |
| CPCS_line_data_Ts2 | PCS_line_data_Ts2 class: hold a line of the input file information (.npc format) One PCS_line_data_Ts2 per line in the input file |
| CPCS_file_data_Ts2 | PCS_file_data_Ts2 contain all the information of a .npc file one per lanthanide |
| CPCS_data_input_Ts2 | PCS_data_input_Ts2 contain all the input information for the PCS. This includes all the information from the .npc files |
| CPCS_data_input_manager_Ts2 | |
| CPCS_tensor_Ts2 | |
| CTensorsOptimizer_Ts2 | |
| ►NpcsTs3 | |
| CGridSearchIterator_Ts3 | |
| CPCS_data_per_lanthanides_Ts3 | |
| CPCS_data_Ts3 | |
| CPCS_Energy_Ts3 | |
| CPCS_Energy_parameters_manager_Ts3 | |
| CPseudocontactShiftEnergyCreator_Ts3 | |
| CPCS_line_data_Ts3 | PCS_line_data_Ts3 class: hold a line of the input file information (.npc format) One PCS_line_data_Ts3 per line in the input file |
| CPCS_file_data_Ts3 | PCS_file_data_Ts3 contain all the information of a .npc file one per lanthanide |
| CPCS_data_input_Ts3 | PCS_data_input_Ts3 contain all the input information for the PCS. This includes all the information from the .npc files |
| CPCS_data_input_manager_Ts3 | |
| CPCS_tensor_Ts3 | |
| CTensorsOptimizer_Ts3 | |
| ►NpcsTs4 | |
| CGridSearchIterator_Ts4 | |
| CPCS_data_per_lanthanides_Ts4 | |
| CPCS_data_Ts4 | |
| CPCS_Energy_Ts4 | |
| CPCS_Energy_parameters_manager_Ts4 | |
| CPseudocontactShiftEnergyCreator_Ts4 | |
| CPCS_line_data_Ts4 | PCS_line_data_Ts4 class: hold a line of the input file information (.npc format) One PCS_line_data_Ts4 per line in the input file |
| CPCS_file_data_Ts4 | PCS_file_data_Ts4 contain all the information of a .npc file one per lanthanide |
| CPCS_data_input_Ts4 | PCS_data_input_Ts4 contain all the input information for the PCS. This includes all the information from the .npc files |
| CPCS_data_input_manager_Ts4 | |
| CPCS_tensor_Ts4 | |
| CTensorsOptimizer_Ts4 | |
| ►Nsaxs | |
| CPDDFEnergy | |
| CPDDFEnergyCreator | |
| CEnsembleEnergy | |
| CEnsembleEnergyCreator | |
| CInterchainEnvEnergy | |
| CInterchainEnvEnergyCreator | |
| CInterchainPairEnergy | |
| CInterchainPairEnergyCreator | |
| CResidualDipolarCouplingEnergyRigidSegments | |
| CResidualDipolarCouplingEnergyRigidSegmentsCreator | |
| CSpecialRotamerEnergy | |
| CSpecialRotamerEnergyCreator | |
| CTargetClashEnergy | |
| CTargetClashEnergyCreator | |
| CImplicitFastClashCheck | |
| CInterchainPotential | Singleton class to hold the interface-derived statistics for residue-pair scores at protein/protein interfaces |
| CInterface | |
| CInterfaceInfo | Keep track of the interface information |
| CResidualDipolarCouplingRigidSegments | ResidualDipolarCouplingRigidSegmentss are mainly handled by this class @detail related classed: RDC — a single line in an RDC file - representing a single dipolar coupling ResidualDipolarCouplingRigidSegmentsEnergy – an energy method which triggers computations handled by this class |
| CVDW_CachedRepScreenInfo | |
| CVDW_GridEnergy | |
| CVDW_GridEnergyCreator | |
| ►Nseeded_abinitio | |
| CCAcstGenerator | |
| CCAcstGeneratorCreator | |
| CCloseFold | |
| CCloseFoldCreator | |
| CCoordinateCst | |
| CCoordinateCstCreator | |
| CDefineMovableLoops | |
| CDefineMovableLoopsCreator | |
| CGrowPeptidesSegment | |
| CGrowPeptides | |
| CGrowPeptidesCreator | |
| CSeedFoldTree | |
| CSeedFoldTreeCreator | |
| CSeedSetupMover | |
| CSeedSetupMoverCreator | |
| CSegmentHybridizer | |
| CSegmentHybridizerCreator | |
| CSegmentSpec | |
| CSwapSegment | |
| CSwapSegmentCreator | |
| ►Nsewing | |
| ►Ndata_storage | |
| CBasis | Class for storing residue information needed to generate alignments |
| CHashedSmartAssembly | Assembly that makes use of the Hasher |
| CLigandResidue | Minimal container for SEWING residues |
| CLigandContact | |
| CContactDescription | |
| CLigandDescription | |
| CLigandSegment | Segment that contains a single ligand residue with given attachment point(s) |
| CSmartAssembly | SEWING Assembly composed of SmartSegments |
| CSmartSegment | Neighbor-aware SewSegment version |
| CSmartSewingResidue | Minimal container for SEWING residues |
| ►Nhashing | |
| CAlignmentFGMSettings | |
| CAlignmentFileGeneratorMover | Given a model file, edge file ,and one or more input structures, generates alignment files for use with AppendAssemblyMover |
| CAlignmentFileGeneratorMoverCreator | |
| CAlignmentGenerator | This class contains the infrastructure for parsing an edge file and for generating all possible alignments for a given edge |
| CBasisMapGenerator | Given a model file, edge file ,and one or more input structures, generates alignment files for use with AppendAssemblyMover |
| CEdgeMapGenerator | Class used to generate and load in edge files for use with SEWING protocols |
| CHasher | A geometric hashing class used by the SEWING protocol |
| Ccoord_hash | |
| Ccoord_equal_to | |
| CHashValue | |
| CHasherSettings | |
| CSegmentVector | |
| CAlignmentSettings | |
| CIdealContact | |
| CLigandCoordInfo | |
| CLigandBindingResPlacer | |
| CModelFileReader | Reader of SEWING model files |
| ►Nmovers | |
| CAppendAssemblyMover | AssemblyMover for adding to existing poses |
| CAppendAssemblyMoverCreator | |
| CAssemblyMover | Interface for making Movers that deal with Assemblies |
| CAssemblyMoverCreator | |
| CLigandBindingAssemblyMover | AssemblyMover for adding to existing poses |
| CLigandBindingAssemblyMoverCreator | |
| ►Nrequirements | |
| CAssemblyRequirement | Interface for making Requirements that deal with Assemblies |
| CAssemblyRequirementCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CAssemblyRequirementFactory | Create AssemblyRequirements |
| CAssemblyRequirementRegistrator | This templated class will register an instance of an RequirementCreator (class T) with the RequirementFactory. It will ensure that no RequirementCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CClashRequirement | Requirement that an Assembly have less than a certain number of clashes |
| CClashRequirementCreator | The Creator class is responsible for creating a particular Requirement class |
| CDsspSpecificLengthRequirement | Requirement that the segments of an Assembly with a specific dssp code be within a certain range of lengths |
| CDsspSpecificLengthRequirementCreator | The Creator class is responsible for creating a particular Requirement class |
| CKeepLigandContactsRequirement | Requirement that an Assembly have less than a certain number of clashes |
| CKeepLigandContactsRequirementCreator | The Creator class is responsible for creating a particular Requirement class |
| CLengthInResiduesRequirement | Requirement that an Assembly be within a certain range of lengths |
| CLengthInResiduesRequirementCreator | The Creator class is responsible for creating a particular Requirement class |
| CLigandAssemblyRequirement | Interface for making Requirements that deal with Assemblies |
| CLigandClashRequirement | Assembly requirement that clash checks the assembly backbone with its bound ligands |
| CLigandClashRequirementCreator | The Creator class is responsible for creating a particular Requirement class |
| CNonTerminalStartingSegmentRequirement | Requirement that an Assembly have less than a certain number of clashes |
| CNonTerminalStartingSegmentRequirementCreator | The Creator class is responsible for creating a particular Requirement class |
| CSizeInSegmentsRequirement | Requirement that an Assembly be within a certain range of sizes |
| CSizeInSegmentsRequirementCreator | The Creator class is responsible for creating a particular Requirement class |
| ►Nscoring | |
| CAssemblyScorer | Interface for making Requirements that deal with Assemblies |
| CAssemblyScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CAssemblyScorerFactory | Create AssemblyScorers |
| CAssemblyScorerRegistrator | This templated class will register an instance of an RequirementCreator (class T) with the RequirementFactory. It will ensure that no RequirementCreator is registered twice, and, centralizes this registration logic so that thread safety issues can be handled in one place |
| CInterModelMotifScorer | |
| CInterModelMotifScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CIntraDesignTerminusMotifScorer | |
| CIntraDesignTerminusMotifScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CLigandAssemblyScorer | Interface for making Requirements that deal with Assemblies |
| CLigandScorer | |
| CLigandScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CMotifScorer | |
| CMotifScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CPartnerMotifScorer | |
| CPartnerMotifScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CSegmentContactOrderScorer | |
| CSegmentContactOrderScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CStartingNodeMotifScorer | |
| CStartingNodeMotifScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CSubsetPartnerMotifScorer | |
| CSubsetPartnerMotifScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CTerminusMotifScorer | |
| CTerminusMotifScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| CTopNMotifScorer | |
| CTopNMotifScorerCreator | The Creator class is responsible for creating a particular GlobalRequirement class |
| ►Nsic_dock | |
| ►Nscores | |
| CMotifHashRigidScore | |
| CTrisBpyScore | |
| CXfoxmScore | |
| CCBScoreVisitor | |
| CNoPoseXYX_Func | |
| CRigidScore | |
| CCBScore | |
| CLinkerScore | |
| CAtomIDHashFunction | |
| CConstraintSetScore | |
| CEdgeStandScore | |
| CHelixScore | |
| CBuriedPolarScore | |
| CJointScore | |
| CRose | |
| CCorrectionVisitor | |
| CSICFast | |
| CVec3 | |
| CxyzStripeHashPoseWithMeta | |
| ►Nsimple_ddg | |
| CAlaScan | |
| CAlaScanFilterCreator | |
| CddG | |
| CddGCreator | |
| CDdgFilter | |
| CDdgFilterCreator | |
| CDdGScan | |
| CDdGScanCreator | |
| CInterfaceBindingEnergyDensityFilter | |
| CInterfaceBindingEnergyDensityFilterCreator | |
| CSSElementBisectddGFilter | |
| CSSElementBisectddGFilterCreator | |
| ►Nsimple_filters | |
| CAbinitioBaseFilter | |
| CAngleToVector | |
| CAngleToVectorFilterCreator | |
| CAtomicContactFilter | Detects atomic (<4Ang) contacts between any two atoms of two residues |
| CAtomicContactFilterCreator | |
| CAtomicDistanceFilter | Detects atomic contacts between two atoms of two residues |
| CAtomicDistanceFilterCreator | |
| CAveragePathLengthFilter | |
| CAveragePathLengthFilterCreator | |
| CBatchEvaluator | |
| CBatchNrEvaluator | |
| CBuriedSurfaceAreaFilter | Calculates buried surface area (exposed surface area minus total surface area, on a per-residue basis). Accepts a residue selector to allow buried subsets to be considered |
| CBuriedSurfaceAreaFilterCreator | |
| CBuriedUnsatHbondFilter | Filters based on an upper bound # of buried unsatisfied polar residues |
| CBuriedUnsatHbondFilterCreator | |
| CCamShiftEvaluator | |
| CCamShiftEvaluatorCreator | Creator for the CamShiftEvaluatorCreator class |
| CChainBreak | Test whether a pose contains a comment that evaluates to a predefined value. This is useful in controlling execution flow in RosettaScripts |
| CChainBreakFilterCreator | |
| CChainCountFilter | Detects atomic contacts between two atoms of two residues |
| CChainCountFilterCreator | |
| CChiWellRmsdEvaluator | |
| CChiWellRmsdEvaluatorCreator | Creator for the ChiWellRmsdEvaluatorCreator class |
| CCOFilter | |
| CContactMapEvaluator | |
| CContactMapEvaluatorCreator | Creator for the ContactMapEvaluatorCreator class |
| CContactMolecularSurfaceFilter | |
| CContactMolecularSurfaceFilterCreator | |
| CDeltaFilter | |
| CDeltaFilterCreator | |
| CDisulfideEntropyFilter | |
| CDisulfideEntropyFilterCreator | |
| CDomainInterfaceFilter | |
| CEnergyPerResidueFilter | |
| CEnergyPerResidueFilterCreator | |
| CEvaluatedTrialMover | |
| CExpiryFilter | |
| CExpiryFilterCreator | |
| CExternalEvaluator | |
| CExtraScoreEvaluatorCreator | Creator for the ExtraScoreEvaluatorCreator class |
| CFileExistFilter | |
| CFileExistFilterCreator | |
| CFileRemoveFilter | |
| CFileRemoveFilterCreator | |
| CHelixHelixAngleFilter | |
| CHelixHelixAngleFilterCreator | |
| CHolesFilter | |
| CHolesFilterCreator | |
| CInterfaceHbondsFilter | |
| CInterfaceHbondsFilterCreator | |
| CInterfaceHydrophobicResidueContactsFilter | |
| CInterfaceHydrophobicResidueContactsFilterCreator | |
| CInterfaceSasaFilter | |
| CInterfaceSasaFilterCreator | |
| CInterRepeatContactFilter | |
| CInterRepeatContactFilterCreator | |
| CIntraRepeatContactFilter | |
| CIntraRepeatContactFilterCreator | |
| CJScoreEvaluator | |
| CJScoreEvaluatorCreator | Creator for the JScoreEvaluatorCreator class |
| CJumpEvaluator | |
| CJumpNrEvaluator | |
| CJumpNrEvaluatorCreator | Creator for the JumpNrEvaluatorCreator class |
| CLongestContinuousApolarSegmentFilter | This filter computes the longest continuous stretch of polar residues within a pose or selection |
| CLongestContinuousApolarSegmentFilterCreator | |
| CLongestContinuousPolarSegmentFilter | This filter computes the longest continuous stretch of polar residues within a pose or selection |
| CLongestContinuousPolarSegmentFilterCreator | |
| CMembAccesResidueLipophilicityFilter | |
| CMembAccesResidueLipophilicityFilterCreator | |
| CMotifScoreFilter | |
| CMotifScoreFilterCreator | |
| CMPSpanAngleFilter | |
| CMPSpanAngleFilterCreator | |
| CMutationsFilter | |
| CMutationsFilterCreator | |
| CNativeEvaluatorCreator | Creator for the NativeEvaluatorCreator class |
| CNeighborTypeFilter | |
| CNeighborTypeFilterCreator | |
| CNetChargeFilter | |
| CNetChargeFilterCreator | |
| CNMerPSSMEnergyFilter | |
| CNMerPSSMEnergyFilterCreator | |
| Cnmer_svm_res_data | |
| CNMerSVMEnergyFilter | |
| CNMerSVMEnergyFilterCreator | |
| CNonSequentialNeighborsFilter | |
| CNonSequentialNeighborsFilterCreator | |
| CRegionalConnections | |
| CPackerNeighborGraphFilter | |
| CPackStatFilter | |
| CPackStatFilterCreator | |
| CPalesEvaluator | |
| CPalesEvaluatorCreator | Creator for the PalesEvaluatorCreator class |
| CPDDFScoreFilter | |
| CPoolEvaluatorCreator | Creator for the PoolEvaluatorCreator class |
| CPoseComment | Test whether a pose contains a comment that evaluates to a predefined value. This is useful in controlling execution flow in RosettaScripts |
| CPoseCommentFilterCreator | |
| CPoseInfoFilter | Detects atomic contacts between two atoms of two residues |
| CPoseInfoFilterCreator | |
| CPoseMetricEvaluator | |
| CPredictedBurialEvaluator | |
| CPredictedBurialFnEvaluatorCreator | Creator for the PredictedBurialFnEvaluatorCreator class |
| CRangeFilter | |
| CRangeFilterCreator | |
| CRDC_Evaluator | |
| CSelectRDC_Evaluator | |
| CRdcEvaluatorCreator | Creator for the RdcEvaluatorCreator class |
| CRdcSelectEvaluatorCreator | Creator for the RdcSelectEvaluatorCreator class |
| CRdcTargetEvaluatorCreator | Creator for the RdcTargetEvaluatorCreator class |
| CReadPoseExtraScoreFilter | |
| CReadPoseExtraScoreFilterCreator | |
| CRepeatParameterFilter | |
| CRepeatParameterFilterCreator | |
| CReportFilter | |
| CReportFilterCreator | |
| CResidueBurialFilter | |
| CResidueBurialFilterCreator | |
| CResidueChiralityFilter | |
| CResidueChiralityFilterCreator | |
| CResidueCountFilter | |
| CResidueCountFilterCreator | |
| CResidueDepthData | |
| CResidueDepthFrag | |
| CResidueDepthCalculator | |
| CResidueDepthFilter | |
| CResidueDepthFilterCreator | |
| CResidueDistanceFilter | |
| CResidueDistanceFilterCreator | |
| CResidueIEFilter | |
| CResidueIEFilterCreator | |
| CResidueLipophilicityFilter | |
| CResidueLipophilicityFilterCreator | |
| CResidueSelectionDistanceFilter | |
| CResidueSelectionDistanceFilterCreator | |
| CResidueSetChainEnergyFilter | |
| CResidueSetChainEnergyFilterCreator | |
| CResiduesInInterfaceFilter | |
| CResiduesInInterfaceFilterCreator | |
| CRGFilter | |
| CRmsdEvaluator | |
| CSelectRmsdEvaluator | |
| CSelectGdtEvaluator | |
| CSelectMaxsubEvaluator | |
| CSymmetricRmsdEvaluator | |
| CLoopRmsdEvaluator | |
| CRmsdEvaluatorCreator | Creator for the RmsdEvaluatorCreator class |
| CRmsdTargetEvaluatorCreator | Creator for the RmsdTargetEvaluatorCreator class |
| CSaveResfileToDiskFilter | |
| CSaveResfileToDiskFilterCreator | |
| CSAXSScoreFilter | |
| CScoreEvaluator | That rewrites the whole pss struct all previous entries will be lost... probably not what one wants.. |
| CTruncatedScoreEvaluator | |
| ►CSecretionPredictionFilter | |
| Cmutt | |
| Ctm_region | |
| CSecretionPredictionFilterCreator | |
| CSequenceDistance | Test whether a pose contains a comment that evaluates to a predefined value. This is useful in controlling execution flow in RosettaScripts |
| CSequenceDistanceFilterCreator | |
| CShapeComplementarityFilter | |
| CEXCN_InitFailed | Super-simple exception to be thrown when we can't initialize the SC calculator |
| CEXCN_CalcFailed | Super-simple exception to be thrown when the SC calculator fails to compute |
| CShapeComplementarityFilterCreator | |
| CSheetFilter | |
| CSidechainRmsdFilter | |
| CSidechainRmsdFilterCreator | |
| CSimpleHbondsToAtomFilter | Simple filter for detercting Hbonds to atom with energy < energy cutoff |
| CSimpleHbondsToAtomFilterCreator | |
| CSimpleMetricFilter | A filter takes any SimpleMetric and applies a set cutoff to filter the model. Set the cutoff type to set the behavior of the metric |
| CSimpleMetricFilterCreator | |
| CSpanTopologyMatchPoseFilter | |
| CSpanTopologyMatchPoseFilterCreator | |
| CSSElementLengthFilter | |
| CSSElementLengthFilterCreator | |
| CSSElementMotifContactFilter | |
| CSSElementMotifContactFilterCreator | |
| CSSMotifFinder | |
| CSSMotifFinderFilterCreator | |
| CStemFinder | |
| CStemFinderFilterCreator | |
| CStructuralSimilarityEvaluator | |
| CStructureSimilarityEvaluatorCreator | Creator for the StructureSimilarityEvaluatorCreator class |
| CQuat | |
| CSymmetricMotifFilter | |
| CSymmetricMotifFilterCreator | |
| CTaskAwareSASAFilter | |
| CTaskAwareSASAFilterCreator | |
| CTaskAwareScoreTypeFilter | |
| CTaskAwareScoreTypeFilterCreator | |
| CTerminusDistanceFilter | |
| CTerminusDistanceFilterCreator | |
| CTMsAACompFilter | |
| CTMsAACompFilterCreator | |
| CTMsSpanMembraneFilter | |
| CTMsSpanMembraneFilterCreator | |
| CTotalSasaFilter | |
| CTotalSasaFilterCreator | |
| CWorst9merFilter | |
| CWorst9merFilterCreator | |
| ►Nsimple_moves | |
| ►Na3b_hbs | |
| CA3BHbsPatcher | |
| ►Nasym_fold_and_dock | |
| CAsymFoldandDockMoveRbJumpMover | |
| CAsymFoldandDockMoveRbJumpMoverCreator | |
| CAsymFoldandDockRbTrialMover | |
| CAsymFoldandDockRbTrialMoverCreator | |
| ►Nbb_sampler | |
| CBBDihedralSamplerBase | This class functions to hold, access, sample on, and set independent and dependent dihedral data. It is an abstract base class for particular types of data |
| CBBDihedralSampler | This class functions to hold, access, sample on, and set independent and dependent dihedral data. It is an abstract base class for particular types of data. It should eventually be moved out of here |
| CBBDihedralSampler2D | |
| CBBDihedralSampler3D | |
| CBBDihedralSamplerND | |
| CSmallBBSampler | A bb sampler that samples within a range of a starting angle. Similar to small mover. Samples an angle +/- the current angle. If angle max is not set, will sample any angle |
| CSugarBBSampler | Sample dihdrals using sugar bb data |
| ►Nbin_transitions | |
| CInitializeByBins | A mover to set mainchain torsions by bin transition probabilities |
| CInitializeByBinsCreator | |
| CPerturbByBins | A mover to set mainchain torsions by bin transition probabilities |
| CPerturbByBinsCreator | |
| ►Nchiral | |
| CChiralMover | |
| ►Nhbs | |
| CHbsPatcher | |
| ►Noop | |
| COopMover | |
| COopPatcher | |
| COopPuckPlusMover | |
| COopPuckMinusMover | |
| COopDPuckPlusMover | |
| COopDPuckMinusMover | |
| COopRandomPuckMover | |
| COopRandomSmallMover | |
| ►Nrational_mc | |
| CRationalMonteCarlo | |
| ►Nsidechain_moves | |
| CJumpRotamerSidechainMover | Class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions |
| CJumpRotamerSidechainMoverCreator | |
| CPerturbChiSidechainMover | Class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions |
| CPerturbChiSidechainMoverCreator | |
| CPerturbRotamerSidechainMover | Class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions |
| CPerturbRotamerSidechainMoverCreator | |
| CSetChiMover | A mover to change one chi angle |
| CSetChiMoverCreator | |
| CSidechainMCMover | Class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions |
| CSidechainMCMoverCreator | |
| CSidechainMover | Class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions |
| CSidechainMoverBase | Class for non-discrete side chain sampling using Dunbrack rotamer probabilities/distributions |
| CSidechainMoverCreator | |
| ►Ntriazolamer | |
| CTriazolamerMover | |
| CTriazolamerRandomSmallMover | |
| CPeptideStapleMover | |
| CLoadPDBMover | |
| CLoadPDBMoverCreator | |
| CRepeatPropagationMover | |
| CRepeatPropagationMoverCreator | |
| CAddCavitiesMover | |
| CAddChainMover | |
| CAddChainMoverCreator | |
| CAddJobPairData | Add an arbitrary piece of data to the current Job, which will be output in the silent file, database, etc. This is useful for adding metadata to keep track of data generated using multiple experimental conditions. Currently ONLY RosettaScript interface supported |
| CAddJobPairDataCreator | |
| CAddPDBInfoMover | |
| CAddPDBInfoMoverCreator | |
| CAddResidueCouplingConstraint | |
| CAddResidueCouplingConstraintCreator | |
| CAddResidueLabelMover | |
| CAddResidueLabelMoverCreator | |
| CAddSapConstraintMover | Adds variant types to selected residues |
| CAddSapConstraintMoverCreator | |
| CAddSapMathConstraintMover | Adds variant types to selected residues |
| CAddSapMathConstraintMoverCreator | |
| CAlignChainMover | Align a chain in the working pose to a chain. CA superposition |
| CAlignChainMoverCreator | |
| CBackboneMover | BackboneMover class has elements of the MC temperature to do repetitions of bb moves (small, shear, wobble, etc.) |
| CSmallMover | A mover that makes independent random perturbations of the phi and psi torsion angles of residue i. It selects residue i at random among movable residues (set by its MoveMap), and the final torsion angle is subject to a metropolis criterion using the rama score to ensure that only favorable backbone torsion angles are being selected. The number of perturbations, and the magnitude of perturbations, and the temperature in the rama check, can all be modified |
| CShearMover | A mover that perturbs the phi of residue i and the psi of residue i-1 such that they create a 'shearing' effect, minimizing the downstream consequences of this torsional perturbation. The final torsion angle is subject to a metropolis criterion using the rama score to ensure that only favorable backbone torsion angles are being selected. The number of perturbations, and the magnitude of perturbations, and the temperature in the rama check, can all be modified |
| CSmallMoverCreator | |
| CShearMoverCreator | |
| CBBConRotMover | |
| CBBDihedralSamplerMover | Mover interface to BBDihedralSampler ( 1D ). Samples using BBDihedralSamplers randomly using residues set in the movemap. If multiple samplers are given, will randomly sample on them |
| CBBDihedralSamplerMoverCreator | |
| CBBGaussianMover | Basic class for implementing Gaussian Perturbation of bb |
| CBBG8T3AMover | Particular gaussian mover from the original paper |
| CBBGaussianMoverCreator | |
| CChainSplitMover | ChainSplitMover splits a pose into two chains given a cutpoint. This may be necessary for evaluating a domain interface using classes such as the InterfaceAnalyzerMover |
| CChangeAndResetFoldTreeMover | Basic mover used primarily for setting up atomic protocols, especially in generator functions |
| CChangeAndResetFoldTreeMoverCreator | |
| CCombinePoseMover | |
| CConcatenatePosesMover | Links supplied Poses by their termini |
| CConcatenatePosesMoverCreator | |
| CConstrainToIdealMover | |
| CContingentAcceptMover | |
| CContingentAcceptMoverCreator | |
| CConvertRealToVirtualMover | |
| CConvertRealToVirtualMoverCreator | |
| CConvertVirtualToRealMover | |
| CConvertVirtualToRealMoverCreator | |
| CCopyDofMover | |
| CCopyRotamerMover | A mover to copy a rotamer (residue identity and conformation) from one position in a pose to another |
| CCopyRotamerMoverCreator | |
| CCoupledMover | This mover is called by CoupledMovesProtocol to make a single coupled move |
| CCoupledMoverCreator | This is used by CoupledMover.cc |
| CCutChainMover | Simple mover that sperates Fv from Fl into two seperate chains |
| CCutChainMoverCreator | |
| CCyclizationMover | |
| CDeclareBond | |
| CDeclareBondCreator | |
| CDEEROptimizeCoordsMover | |
| CDEEROptimizeCoordsMoverCreator | |
| CDeleteChainMover | |
| CDeleteChainMoverCreator | |
| CDeleteChainsMover | Delete a chain from a Pose, or a set of chains |
| CDeleteChainsMoverCreator | |
| CDisulfideInsertionMover | |
| CDisulfideInsertionMoverCreator | |
| CDME_FilterMover | |
| CDOFHistogramRecorder | |
| CDumpPdb | What you think this can now be assimilated into DumpPdbMover |
| CDumpPdbCreator | |
| CDumpSingleResidueRotamers | Given a residue index, dump all of the rotamers to individual PDB files within 0-1 sd of the mean |
| CDumpSingleResidueRotamersCreator | |
| CWaterRot | |
| CWaterRotsDB | |
| CAtomHashNode | |
| CAtomHash | |
| CExplicitWaterMover | |
| CExplicitWaterMoverCreator | |
| CFavorSequenceProfile | |
| CFavorSequenceProfileCreator | |
| CFavorSymmetricSequence | |
| CFavorSymmetricSequenceCreator | |
| CFoldTreeFromMotif | |
| CFoldTreeFromMotifCreator | |
| CFragmentMover | Abstract base class for FragmentMovers |
| CClassicFragmentMover | A FragmentMover that applies uniform sampling of fragments |
| ►CLoggedFragmentMover | |
| CItem | |
| CGunnTuple | |
| CGunnCost | |
| CLoadUnboundRotMover | |
| CLoadUnboundRotMoverCreator | |
| CMembraneTopology | A mover to change one torsion angle |
| CMembraneTopologyCreator | |
| CMissingDensityToJumpMover | |
| CModifyVariantTypeMover | Adds variant types to selected residues |
| CModifyVariantTypeMoverCreator | |
| CMutateResidue | A mover to mutate a single residue |
| CMutateResidueCreator | |
| CPDBReloadMover | |
| CPDBReloadMoverCreator | |
| CThermodynamicData | Structure that stores data during simulation |
| CPeriodicBoxMover | |
| CPeriodicBoxMoverCreator | |
| CPoseFromPoseResourceMover | Mover that shuttles a Pose from a PoseResource into the DataMap when its parse_my_tag method is invoked |
| CPoseFromPoseResourceMoverCreator | |
| CProlineFixMover | |
| CPSSM2BfactorMover | |
| CPSSM2BfactorMoverCreator | |
| CRandomOmegaFlipMover | |
| CRandomOmegaFlipMoverCreator | |
| CRandomTorsionMover | |
| CRandomTorsionMoverCreator | |
| CIonizableResidue | |
| CReportEffectivePKA | Scale density map intensities to match a pose's |
| CReportEffectivePKACreator | |
| CReportXYZ | |
| CReportXYZCreator | |
| CRepulsiveOnlyMover | This mover replace designated residues with glycines, and then assigns a "REPLONLY" residue type to those glycines. Those "REPLONLY" residues will make only repulsive contributions to the overall energy |
| CResetFoldTree | |
| CResetFoldTreeCreator | |
| CResetFullModelInfoMover | Ensure synchronized full model info |
| CResetFullModelInfoMoverCreator | |
| CResTypeFragmentMover | |
| CReturnSidechainMover | |
| CRingConformationMover | |
| CRingConformationMoverCreator | MoverCreator allowing the MoverFactory to create a RingConformationMover |
| CSampleSequenceFromProbabilities | A class to sample sequences from a PerResidueProbabilitiesMetric and thread them onto the pose |
| CSampleSequenceFromProbabilitiesCreator | |
| CSaveProbabilitiesMetricMover | A class to save a PerResidueProbabilitiesMetric to a weight file |
| CSaveProbabilitiesMetricMoverCreator | |
| CSaveSequenceToCommentsMover | |
| CSaveSequenceToCommentsMoverCreator | |
| CScoreMover | |
| CScoreMoverCreator | |
| CSequenceProfileMover | |
| CSequenceProfileMoverCreator | |
| CSetTorsion | A mover to change one torsion angle |
| CSetTorsionCreator | |
| CSetupMetalsMover | A protocols::moves::Mover that |
| CSetupMetalsMoverCreator | |
| CShakeStructureMover | |
| CShortBackrubMover | |
| CShortBackrubMoverCreator | |
| CSimpleThreadingMover | This mover functions to thread the sequence of a region onto the given pose. Nothing fancy here. For more fancy things see protocols/comparative_modeling |
| CSimpleThreadingMoverCreator | |
| CSixDoFGridDockMover | Class for enumerating docked orientations (3 translations and 3 rotations) between two chains |
| CSixDoFGridDockMoverCreator | |
| CFragmentCost | |
| CSmoothFragmentMover | |
| CStorePoseSnapshot | A mover to store current residue indices in a map that will be updated as residues are added or deleted, permitting residue indices from the current state to be used to set up movers applied in the future |
| CStorePoseSnapshotCreator | |
| CHit | |
| Cless_then_match_rmsd | |
| CStructProfileMover | |
| CStructProfileMoverCreator | |
| CSuperimposeMover | Superimpose pose onto reference pose. Default CA only. All residues. Optionally set to superimpose regions or backbone only (N, C, CA, O) |
| CSuperimposeMoverCreator | |
| CSwitchChainOrderMover | |
| CSwitchChainOrderMoverCreator | |
| CSwitchResidueTypeSetMover | A mover that switches a pose between residue type sets (e.g. centroid and fullatom) |
| CSwitchResidueTypeSetMoverCreator | |
| CSymmetricFragmentMover | A SymmetricFragmentMover that applies uniform sampling of fragments |
| CSmoothSymmetricFragmentMover | A SymmetricFragmentMover that applies uniform sampling of fragments |
| CTailsScoreMover | |
| CTorsionDOFMover | TODO: De-duplicate shared code from RotateJumpAxisMover (angle picking code) |
| CTorsionSetMover | |
| CTumble | |
| CTumbleCreator | |
| CUniformRotationMover | Uniform Rotation Mover |
| CUniformTranslationMover | Uniform Translation Mover |
| CVirtualRootMover | |
| CVirtualRootMoverCreator | |
| CWobbleMover | A protocols::moves::Mover class for a classic-wobble analog: a smooth move followed by ccd closure @detail a smooth fragment is chosen according to the FragmentCost Functor; a cutpoint is inserted just in front of or just after the fragment a loop is defined around the fragment and cutpoint to be closed with ccd: a cut_Cterm insertion: -—lfff bbb-— f: fragment_res b: buffer_res -: immovable residues a !cut_Cterm insertion: —bbb fffl— the number of b resiudes is controlled by buffer_length_ (default 3); the move is used by apply() (inherited from FragmentMover). the insertion and loop closure is implemented in the virtual method apply_fragment() |
| CWriteFiltersToPose | Writes the results from all filters to the pose file |
| CWriteFiltersToPoseCreator | |
| CWriteSSEMover | Writes SSE assignation from DSSP or prediction from PSIPRED as REMARK |
| CWriteSSEMoverCreator | |
| ►Nsimple_pose_metric_calculators | |
| CBuriedUnsatisfiedPolarsCalculator | |
| CNumberHBondsCalculator | |
| ►Nsimple_task_operations | |
| CInterfaceTaskOperation | |
| CDockingNoRepack1 | |
| CDockingNoRepack2 | |
| CRestrictToInterface | |
| CRestrictToInterfaceCreator | |
| CRestrictToLoops | |
| CRestrictToLoopsAndNeighbors | This class allows the selection for packing (and possibly design) of residues contained in a Loops object as well as the neighbors within a specified cutoff distance, with the default and maximum cutoff at 10.0 A |
| CRestrictToLoopsAndNeighborsCreator | |
| CRestrictToLoopsCreator | |
| ►Nsparta | |
| CANN | |
| CChemicalShiftEvaluator | |
| CChemicalShiftEvaluatorCreator | Creator for the ChemicalShiftsEvaluatorCreator class |
| CGDB | |
| CPDB_Entry | |
| CRingData | |
| CPDB | |
| ►CSparta | |
| CSpartaLib | { most of the original SPARTA class goes into SpartaLib – to be reused between different evaluators.. |
| ►Nsplice | |
| CAlignEndsMover | |
| CAlignEndsMoverCreator | |
| CDesignInterfacesOperation | |
| CDesignInterfacesOperationCreator | |
| CFindEndpointsOperation | |
| CFindEndpointsOperationCreator | |
| CRBInMover | |
| CRBInMoverCreator | |
| CRBOutMover | |
| CRBOutMoverCreator | |
| CRotLibOut | |
| CRotLibOutCreator | |
| CROT | |
| CRotLibdb | |
| CSampleRotamersFromPDB_RotamerSetOperation | |
| CSampleRotamersFromPDB | |
| CSampleRotamersFromPDBCreator | |
| CBBMatching | |
| CSplice | Container for BBDofs, providing a convenient operator [], size, other methods and iterators that allow splice to treat ResidueBBDofs as a simple vector (even though it contains other elements as well) |
| CSpliceCreator | |
| CSpliceIn | |
| CSpliceInAntibody | |
| CSpliceInAntibodyCreator | |
| CSpliceInCreator | |
| CSpliceInTail | |
| CSpliceInTailCreator | |
| CBBDofs | |
| CResidueBBDofs | |
| CSpliceManager | |
| CSpliceOut | |
| CSpliceOutAntibody | |
| CSpliceOutAntibodyCreator | |
| CSpliceOutCreator | |
| CSpliceOutTail | |
| CSpliceOutTailCreator | |
| CSpliceSegment | Utility class and functions for dealing with sequence profiles for varying segments in Splice |
| CTailSegmentMover | FloppyTail mover |
| CTailSegmentMoverCreator | |
| ►Nss_prediction | |
| CSS_predictor | |
| ►Nstar | |
| CExtender | |
| CStarAbinitio | |
| ►Nstepwise | |
| ►Nlegacy | |
| ►Nmodeler | |
| ►Nprotein | |
| CStepWiseProteinMinimizer | |
| CStepWiseProteinPoseSetup | |
| ►Nrna | |
| CRNA_AnalyticLoopCloser | The RNA de novo structure modeling protocol |
| CSlicedPoseWorkingParameters | |
| CCluster_Member | |
| CStepWiseRNA_Clusterer | |
| CStepWiseRNA_PoseSelection | |
| CStepWiseRNA_PoseSetup | |
| CStepWiseWorkingParametersSetup | |
| ►Nscreener | |
| CProteinAtrRepScreener | |
| CRNA_AtrRepScreener | |
| CSimplePoseSelection | |
| CSimpleRMSD_Screener | |
| ►Nmodeler | |
| ►Nalign | |
| CStepWiseClusterer | |
| CStepWiseLegacyClusterer | |
| CStepWiseLegacyClustererSilentBased | |
| CStepWisePoseAligner | |
| ►Noptions | |
| CStepWiseBasicModelerOptions | |
| CStepWiseModelerOptions | |
| CStepWiseProteinModelerOptions | |
| CStepWiseRNA_ModelerOptions | |
| ►Npacker | |
| CSideChainCopier | |
| CStepWiseMasterPacker | |
| CStepWisePacker | |
| ►Npolar_hydrogens | |
| CPolarHydrogenPacker | |
| ►Nprecomputed | |
| CPrecomputedLibraryMover | |
| ►Nprotein | |
| ►Nchecker | |
| CProteinAtrRepChecker | |
| ►Nloop_close | |
| CStepWiseProteinCCD_Closer | |
| CStepWiseProteinCCD_MultiPoseCloser | |
| CStepWiseProteinKIC_LoopBridger | |
| CInputStreamWithResidueInfo | |
| CMainChainTorsionSet | |
| CStepWiseProteinBackboneSampler | |
| ►Nrna | |
| ►Nbulge | |
| CBulgeApplyMover | |
| CBulgeUnApplyMover | |
| ►Nchecker | |
| CRNA_AtrRepChecker | |
| CRNA_BaseCentroidChecker | |
| CRNA_ChainClosableGeometryChecker | |
| CRNA_ChainClosureChecker | |
| CRNA_VDW_BinChecker | |
| ►No2prime | |
| CO2PrimePacker | |
| ►Nphosphate | |
| CMultiPhosphateSampler | |
| CPhosphateMove | |
| CPhosphateMover | |
| ►Nrigid_body | |
| CBaseBin | |
| Ccompare_base_bin | |
| Ccompare_int_pair | |
| ►Nsugar | |
| CSugarInstantiateMover | |
| CSugarModeling | |
| CSugarVirtualizeMover | |
| CVirtualSugarJustInTimeInstantiator | |
| CVirtualSugarSampler | |
| CVirtualSugarSamplerFromStringList | |
| CJump_point | |
| CTorsion_Info | |
| Coutput_data_struct | |
| CInternalWorkingResidueParameter | |
| CStepWiseRNA_CountStruct | |
| CCombine_Tags_Info | |
| CFilterer_Count | |
| CStepWiseRNA_CombineLongLoopFilterer | |
| CResidue_info | |
| ►Nworking_parameters | |
| CStepWiseBasicWorkingParameters | |
| CStepWiseWorkingParameters | |
| CStepWiseConnectionSampler | |
| CStepWiseMinimizer | |
| CStepWiseModeler | |
| ►Nmonte_carlo | |
| ►Nmover | |
| ►Noptions | |
| CStepWiseMoveSelectorOptions | |
| CAddMover | |
| CAddMoverCreator | |
| CAddOrDeleteMover | |
| CDeleteMover | |
| CDeleteMoverCreator | |
| CFromScratchMover | |
| CFromScratchMoverCreator | |
| CResampleMover | |
| CResampleMoverCreator | |
| CStepWiseMasterMover | Central mover of stepwise Monte Carlo protocols, handing work off to special move types |
| CAttachment | |
| CStepWiseMove | |
| CStepWiseMoveSelector | |
| CTransientCutpointHandler | |
| CVaryLoopLengthMover | In stepwise design, vary desired loop lengths by updating FullModelParameters |
| ►Noptions | |
| CStepWiseMonteCarloOptions | |
| ►Nrna | |
| CRNA_AddDeleteMonteCarlo | |
| CRNA_O2PrimeMover | |
| CRNA_TorsionMover | |
| ►Nsubmotif | |
| CSubMotifLibrary | |
| CStepWiseMonteCarlo | |
| ►Noptions | |
| CStepWiseBasicOptions | |
| ►Nsampler | |
| ►Ncopy_dofs | |
| CCopyDofStepWiseSampler | |
| CResidueAlternativeSet | |
| CResidueAlternativeStepWiseSampler | |
| CResidueAlternativeStepWiseSamplerComb | |
| CResidueListStepWiseSampler | |
| ►Ninput_streams | |
| CInputStreamStepWiseSampler | |
| ►Njump | |
| CJumpStepWiseSampler | |
| ►Nprotein | |
| CProteinBetaAntiParallelStepWiseSampler | |
| CProteinFragmentStepWiseSampler | |
| CProteinMainChainStepWiseSampler | |
| ►Nrigid_body | |
| CEulerAngles | |
| CRigidBodyStepWiseSampler | |
| CRigidBodyStepWiseSamplerValueRange | |
| CRigidBodyStepWiseSamplerWithResidueAlternatives | |
| CRigidBodyStepWiseSamplerWithResidueList | |
| ►Nrna | |
| CRNA_ChiStepWiseSampler | |
| CRNA_KIC_Sampler | |
| CRNA_KinematicCloser | The RNA de novo structure modeling protocol |
| CRNA_NucleosideStepWiseSampler | |
| CRNA_SugarStepWiseSampler | |
| CRNA_SuiteStepWiseSampler | |
| ►Nscreener | |
| CRNA_TorsionScreener | |
| CStepWiseSampler | |
| CStepWiseSamplerComb | |
| CStepWiseSamplerOneDOF | |
| CStepWiseSamplerOneTorsion | |
| CStepWiseSamplerOneValue | |
| CStepWiseSamplerOneValueComb | |
| CStepWiseSamplerRingConformer | |
| CStepWiseSamplerSized | |
| CStepWiseSamplerSizedAny | |
| CStepWiseSamplerSizedComb | |
| ►Nscreener | |
| CAlignRMSD_Screener | |
| CAnchorSugarScreener | |
| CBaseBinMapUpdater | |
| CBaseCentroidScreener | |
| CBulgeApplier | |
| CCentroidDistanceScreener | |
| CFastForwardToNextResidueAlternative | |
| CFastForwardToNextRigidBody | |
| CIntegrationTestBreaker | |
| CO2PrimeScreener | |
| CPackScreener | |
| CPartitionContactScreener | |
| CPhosphateScreener | |
| CPoseSelectionScreener | |
| CProteinCCD_ClosureScreener | |
| CResidueContactScreener | |
| CRNA_ChainClosableGeometryResidueBasedScreener | |
| CRNA_ChainClosableGeometryScreener | |
| CRNA_ChainClosableGeometryStubBasedScreener | |
| CRNA_ChainClosureScreener | |
| CSampleApplier | |
| CScorer | |
| CStepWiseResiduePairScreener | |
| CStepWiseScreener | |
| CStubApplier | |
| CStubDistanceScreener | |
| CSugarInstantiator | |
| CTagDefinition | |
| CVDW_BinScreener | |
| CStepWiseSampleAndScreen | |
| ►Nstruct_fragment | |
| CStructFragmentMover | |
| CStructFragmentMoverCreator | RosettaScripts factory for StructFragmentMover |
| ►Nsurface_docking | |
| CCentroidRelaxMover | |
| CFullatomRelaxMover | |
| CSurfaceDockingProtocol | |
| CSurfaceOrientMover | |
| CSurfaceParameters | |
| CSurfaceVectorLoader | SurfaceVectorLoader constructs a SurfaceParameters instance from data provided by the resource manager |
| CSurfaceVectorLoaderCreator | |
| ►Nswitches | |
| CGraftSwitchMover | A protocols::moves::Mover that grafts a sequence onto the terminal helix of a helical-bundle monomer. Utilizes SimpleThreadingMover alongside |
| CGraftSwitchMoverCreator | |
| ►Nsymmetric_docking | |
| ►Nmembrane | |
| CMPSymDockMover | |
| CMPSymDockMoverCreator | Mover Creator |
| CSymDockBaseProtocol | |
| CSymDockingHiRes | |
| CSymDockingLowRes | |
| CSymDockProtocol | Main Symmetric Docking protocol class |
| CSymDockProtocolCreator | |
| CSymFoldandDockRbTrialMoverCreator | |
| CSymFoldandDockSlideTrialMoverCreator | |
| CSymFoldandDockMoveRbJumpMoverCreator | |
| CSymFoldandDockMoveRbJumpMover | |
| CSymFoldandDockRbTrialMover | |
| CSymFoldandDockSlideTrialMover | |
| CSymRestrictTaskForDocking | |
| CSymSidechainMinMover | |
| CSymInterfaceSidechainMinMover | |
| ►Nsymmetry | |
| CDetectSymmetry | |
| CDetectSymmetryMoverCreator | |
| CSetupForSequenceSymmetryMover | |
| CSetupForSequenceSymmetryMoverCreator | |
| CSetupForSymmetryMover | |
| CExtractAsymmetricUnitMover | Extract the Asymmetric unit only from the pose. This is the pose that would have existed before symmetrization |
| CExtractAsymmetricPoseMover | |
| CSetupForSymmetryMoverCreator | |
| CExtractAsymmetricUnitMoverCreator | |
| CExtractAsymmetricPoseMoverCreator | |
| CNCSResMapping | |
| CSetupNCSMover | |
| CSetupNCSMoverCreator | |
| CSymDockingInitialPerturbation | |
| CSymDockingSlideIntoContact | Contrary to the name, slides things apart first, then together |
| CFaSymDockingSlideTogether | Slides docking partners together by monitoring fa_rep |
| CSymmetrySlider | |
| CSequentialSymmetrySlider | |
| COrderedSequentialSymmetrySlider | |
| CRandomSymmetrySlider | |
| CSymmetricRMSMover | |
| CSymShakeStructureMover | |
| ►Ntask_operations | |
| CAlignedThreadOperation | |
| CAlignedThreadOperationCreator | |
| ►CConservativeDesignOperation | A TaskOperation that sets the allowed amino acids of designable residues to the native amino acid's conservative mutations |
| CConservedMutationData | |
| CConservativeDesignOperationCreator | |
| CCrystalContactsOperation | |
| CCrystalContactsOperationCreator | |
| CDatabaseThread | |
| CDatabaseThreadCreator | |
| CDesignAroundOperation | |
| CDesignAroundOperationCreator | |
| CDsspDesignOperation | TaskOperation that can be used to restrict AAs allowed at each position based on DSSP-assigned secondary structure |
| CDsspDesignOperationCreator | |
| CImportUnboundRotamersOperation | |
| CImportUnboundRotamersOperationCreator | |
| CInteractingRotamerExplosion | : taskop to oversample rotamers that make good interactions with a (set of) specified target residue(s) similar to Rosetta 2.x rotamer explosion |
| CInteractingRotamerExplosionCreator | |
| CJointSequenceOperation | |
| CJointSequenceOperationCreator | |
| CLimitAromaChi2_RotamerSetOperation | |
| CLimitAromaChi2Operation | |
| CLimitAromaChi2OperationCreator | |
| CLinkResidues | |
| CLinkResiduesCreator | |
| CModifyAnnealer | |
| CModifyAnnealerCreator | |
| CMutationSetDesignOperation | Sample a set of mutations each time packer is generated. A MutationSet is a simple map of resnum:aa. Each apply will sample a set either at random, or with a set of weights |
| CpHVariantTaskOperation | During repacking, allow interchangeability of protonated and deprotonated variants |
| CpHVariantTaskOperationCreator | |
| CPreventChainFromRepackingOperation | |
| CPreventChainFromRepackingOperationCreator | |
| CPreventResiduesFromRepackingOperation | |
| CPreventResiduesFromRepackingOperationCreator | |
| CProteinCore | |
| CProteinCoreFilterCreator | |
| CProteinInterfaceDesignOperation | |
| CProteinInterfaceDesignOperationCreator | |
| CPruneBuriedUnsats_RotamerSetsOperation | |
| CPruneBuriedUnsatsOperation | |
| CPruneBuriedUnsatsOperationCreator | |
| CReadResfileFromDB | |
| CReadResfileFromDBCreator | |
| CResfileCommandOperation | Applies the equivalent of a resfile line (without the resnums) to residues specified in a residue selector |
| CResfileCommandOperationCreator | |
| CResidueProbDesignOperation | A TaskOperation that allows amino acids at designable positions through a set of aa probabilities (aa profile) |
| CResidueProbDesignOperationCreator | |
| CRestrictAAsFromProbabilities | A class to restrict designable amino acids depending on the probabilities from a PerResidueProbabilitiesMetric |
| CRestrictAAsFromProbabilitiesCreator | |
| CRestrictByCalculatorsOperation | |
| CRestrictByCalculatorsOperationCreator | |
| CRestrictChainToRepackingOperation | |
| CRestrictChainToRepackingOperationCreator | |
| CRestrictIdentitiesAtAlignedPositionsOperation | |
| CRestrictIdentitiesAtAlignedPositionsOperationCreator | |
| CRestrictIdentitiesOperation | |
| CRestrictIdentitiesOperationCreator | |
| CRestrictInterGroupVectorOperation | |
| CRestrictInterGroupVectorOperationCreator | |
| CRestrictNativeResiduesOperation | |
| CRestrictNativeResiduesOperationCreator | |
| CRestrictNonSurfaceToRepackingOperation | |
| CRestrictNonSurfaceToRepackingOperationCreator | |
| CRestrictOperationsBase | |
| CRestrictResiduesToRepackingOperation | |
| CRestrictResiduesToRepackingOperationCreator | |
| CRestrictToAlignedSegmentsOperation | |
| CRestrictToAlignedSegmentsOperationCreator | |
| CRestrictToCDRH3Loop | |
| CRestrictToCDRH3LoopCreator | |
| CRestrictToInterfaceOperation | |
| CRestrictToInterfaceOperationCreator | |
| CRestrictToInterfaceVectorOperation | |
| CRestrictToInterfaceVectorOperationCreator | |
| CRestrictToMoveMapChiOperation | A TaskOperation that accepts a movemap and restricts chi that are false to either packing or design. Does not turn anything on, just like the rest of the RestrictTo operations |
| CRestrictToNeighborhoodOperation | |
| CRestrictToNeighborhoodOperationCreator | |
| CRestrictToTerminiOperation | |
| CRestrictToTerminiOperationCreator | |
| CRetrieveStoredTaskOperation | |
| CRetrieveStoredTaskOperationCreator | |
| CSelectByDeltaScoreOperation | |
| CSelectByDeltaScoreOperationCreator | |
| CSelectByDensityFitOperation | |
| CSelectByDensityFitOperationCreator | |
| CSelectBySASAOperation | |
| CSelectBySASAOperationCreator | |
| CSelectResiduesWithinChainOperation | |
| CSelectResiduesWithinChainOperationCreator | |
| CSeqprofConsensusOperation | |
| CRestrictConservedLowDdgOperation | Task operation that will check whether the amino acid at a position is conserved in the sequence profile and has an unfavorable ddG when mutated to ala. all positions that match this criterion will get set to repacking |
| CSeqprofConsensusOperationCreator | |
| CRestrictConservedLowDdgOperationCreator | |
| CSequenceMotifTaskOperation | A TaskOp that takes a regex-like pattern and turns it into a set of design residues. The string should identify what to do for each position |
| CSequenceMotifTaskOperationCreator | |
| CSetIGTypeOperation | |
| CSetIGTypeOperationCreator | |
| CSTMStoredTask | |
| CStoreCombinedStoredTasksMover | Mover that can be used to save or restore a task at an arbitrary point during a rosetta scripts protocol. other task operations, movers, or filters can be set up to access tasks saved by this mover during their apply calls |
| CStoreCombinedStoredTasksMoverCreator | |
| CStoreCompoundTaskMover | |
| CStoreCompoundTaskMoverCreator | |
| CStoreTaskMover | Mover that can be used to save or restore a task at an arbitrary point during a rosetta scripts protocol. other task operations, movers, or filters can be set up to access tasks saved by this mover during their apply calls |
| CStoreTaskMoverCreator | |
| CThreadSequenceOperation | |
| CThreadSequenceOperationCreator | |
| ►Ntcr | |
| ►CTCRmodel | Class for modeling TCR structure with optional refinement/loop modeling |
| Ctcrtmplts | Tcrtmplts holds the tmpltinfo values for different tcr segments |
| Ctmpltinfo | Tmpltinfo holds the template information for an individual tcr segment |
| ►Ntesting | |
| CBenchmarkBuildRotamersMover | A protocols::moves::Mover that packs the side-chains using a rotamer library It uses a ScoreFunction for packing and a PackerTask, or a TaskFactory that generates a PackerTask, for instructions on what rotamer sets are allowed at each residue position during packing |
| CBenchmarkBuildRotamersMoverCreator | |
| ►Ntoolbox | |
| ►Nmatch_enzdes_util | |
| CAlignPoseToInvrotTreeMover | Small mover that takes an invrot tree |
| CAllowedSeqposForGeomCst | Simple helper class that holds a list of what sequence positions each geom cst is allowd to be at not sure about the ideal home of this class yet, the matcher task could use it too |
| CEnzConstraintIO | |
| CCovalentConnectionReplaceInfo | Helper class to allow for removal of covalent constraints |
| CEnzConstraintParameters | Class that holds all the parameters for one specific constraint |
| CEnzCstTemplateResAtoms | Helper class for EnzCstTemplateRes, holds atom ids corresponding |
| CEnzCstTemplateRes | Helper class for class EnzConstraintParameters, gathers information |
| CEnzdesCacheableObserver | |
| CEnzdesCstCache | Simple class to store the pose specific enzdes constraint information in the actual pose |
| CEnzdesCstParamCache | |
| CEnzCstTemplateResCache | |
| CResInteractions | |
| CCstResInteractions | |
| CEnzdesLoopInfo | |
| CEnzdesLoopsFile | Class to process an enzdes loops file |
| CEnzdesSeqRecoveryCache | |
| CExternalGeomSampler | The external geom sampler is a class that manages the data necessary to construct the coordinates of the three atoms in the downstream partner |
| CInvrotTarget | 'root' target against which the inverse rotamers are built abstract base class to allow for invrots being built against any sort of entity |
| CSingleResidueInvrotTarget | |
| CInvrotTree | |
| CTheozymeInvrotTree | This class takes an EnzConstraintIO object and generates a 3D model of the theozyme in it, where inverse rotamers are generated for every block in the cstfile. It gets complicated when ambiguous interactions are specified and other residues are interacting (possibly in ambiguous fashion) with these ambiguous residues.. |
| CInvrotTreeNode | |
| CInvrotCollector | @ brief helper class for collecting all different definitions of invrots from a tree |
| CInvrotTreeNodeBase | Abstract base class for an inverse rotamer tree node. Exists so that the target node (InvrotTreeTarget) and the different geom cst nodes (InvrotTreeNode) have a common base class. This is necessary so that a node can point at its parent node in a tree without having to worry about whether that is a target or a regular node |
| CLigandConformer | |
| CGeomSampleInfo | Class that stores information of one geometric parameter line of the .cst file i.e. angleA or torsionB |
| CSingleConstraint | |
| CMatchConstraintFileInfo | |
| CMatchConstraintFileInfoList | Simple container class to contain several MatchConstraintFileInfo instances. this can also query the MatchConstraintFileInfos for common upstream restypes and put all their geomsamples into one list |
| ►Npy_inheritance_test | |
| CBase | |
| CO_1A | |
| CO_1B | |
| CO_2A | |
| CO_2B | |
| CO_2A2B | |
| ►Nrotamer_set_operations | |
| CAddGood2BPairEnergyRotamers | Implementation of rosetta 2.x style rotamer explosion builds a whole bunch of extra rotamers, but only adds them to the set if they score better than a cutoff with a given set of target residues |
| CRigidBodyMoveBaseRSO | |
| CRigidBodyMoveRSO | |
| CSpecialRotamerRSO | |
| CCalcInterNeighborGroup | |
| CClusterBase | |
| CClusterPhilStyle | |
| CClusterOptions | |
| COP_const_iterator | Const_iterator class for SilentFileData container |
| CDecoySetEvaluation | |
| CScoreRmsPoint | |
| CScoreRmsPoints | |
| CEnergyLandscapeEvaluator | Evaluates a set of score/rms points |
| CRotamerBoltzmannWeightEvaluator | Evaluates a set of score/rms points using the RotamerBoltzmann original method |
| CMulliganPNearEvaluator | Evaluates a set of score/rms points using Vikram's pnear method |
| CIGLigandDesignEdgeUpweighter | |
| CResidueGroupIGEdgeUpweighter | |
| CIGInterfaceEdgeUpweighter | |
| CInteratomicVarianceMatrix | |
| CKClusterElement | |
| CKClusterData | Database of a K-style Clustering algorithm |
| CKCluster | Basic class for performing a K-style Clustering algorithm |
| CKMedoid | Typical K-Medoids Clustering Algorithm |
| CGreedyKCenter | Greedy K-Center Clustering Algorithm |
| CResidueNetwork | Residuenetwork base class |
| CDistanceResidueNetwork | Creates networks based on residue proximity in space |
| CCovalentResidueNetwork | Creates networks based on covalent connections between residues |
| CNode | |
| CDummyClass | |
| CSF_Replica | |
| CSamplerPlusPlus | |
| ►Ntopology_broker | |
| ►Nclaims | |
| CBBClaim | |
| CCutClaim | |
| CDofClaim | |
| CJumpClaim | |
| CLegacyRootClaim | |
| CSequenceClaim | |
| CSymmetryClaim | |
| ►Nweights | |
| CAbinitioMoverWeight | |
| CConstAbinitioMoverWeight | |
| CLargeFragWeight | |
| CSmallFragWeight | |
| CSmoothFragWeight | |
| CAsymFoldandDockClaimer | |
| CBasicJumpClaimer | |
| CClaimerMessage | |
| CSuggestValueMessage | |
| CConstraintClaimer | |
| CConstraintEvaluatorWrapper | |
| CConstraintEvaluatorWrapperCreator | Creator for the ConstraintsEvaluatorWrapperCreator class |
| CCoordConstraintClaimer | |
| CCutBiasClaimer | |
| CDensityScoringClaimer | |
| CDisulfJumpClaimer | Claimer that works with the old system of BaseJumpSetup it supports only JumpFrames of type [ BBTorsion ] UpJump DownJump [ BBTorsion ] the class JumpSample is still used to transport the information jumps and jump_atoms, but cuts are ignored all functionality of JumpSample is not used anymore |
| CEXCN_TopologyBroker | |
| CEXCN_Input | |
| CEXCN_Unknown | |
| CEXCN_FailedBroking | |
| CEXCN_FilterFailed | |
| CFibrilModelingClaimer | |
| CFoldandDockClaimer | |
| CFragmentClaimer | |
| CFragmentJumpClaimer | Claimer that works with the old system of BaseJumpSetup it supports only JumpFrames of type [ BBTorsion ] UpJump DownJump [ BBTorsion ] the class JumpSample is still used to transport the information jumps and jump_atoms, but cuts are ignored all functionality of JumpSample is not used anymore |
| CLoopFragmentClaimer | |
| CMembraneTopologyClaimer | |
| CMetalloClaimer | |
| CPcsEnergyController | |
| CPseudocontactShiftEnergyController | |
| CPseudocontactShiftEnergyController_Ts1 | |
| CPseudocontactShiftEnergyController_Ts2 | |
| CPseudocontactShiftEnergyController_Ts3 | |
| CPseudocontactShiftEnergyController_Ts4 | |
| CRigidBodyRandomTMHMover | |
| ►CRigidChunkClaimer | Defines a rigid part of structure... imagine a loop-relax application core structure is fixed via jumps and loops can move @detail the rigid chunk takes a definition of rigid regions in form of an instance of Loops (just taken as bunch of start-end residue numbers — here defining the rigid residues and not the loops). the rigid chunk to keep its integrity will need jumps, the claimer will reuse jumps if somebody else claims them, or submit in finalize_claims his own jumps, if not enough jumps are present. in "bExclusive_ mode" the RigidChunk will reclaim any jump claim that is useful and wihin the rigid region. (i.e., foreign claim is dissallowed but own claim with same residues is issued — in this way the claimer uses e.g., beta-sheet jumps, where they are suggested the input pose is used to initialize the rigid region ( via copying of internal coordinates ) e.g., a hole in the structure shouldn't pose a problem, since we basically copy the atom-tree |
| CCM_SuggestFixResidue | |
| CJumpCalculator | Helper class – computes if we have all jupms needed to rigidify the chosen chunk and generate more jumps if needed |
| CSequenceClaimer | |
| CSequenceNumberResolver | |
| CStartStructClaimer | |
| CSymmetryClaimer | |
| CTemplateFragmentClaimer | Hacky wrapper to keep the old Template code alive a bit longer this claimer deals with the Jumpy part of the Templates |
| CTemplateJumpClaimer | Hacky wrapper to keep the old Template code alive a bit longer this claimer deals with the Jumpy part of the Templates |
| CTMHTopologySamplerClaimer | |
| CTopologyBroker | |
| CTopologyClaimer | @detail |
| CTopologyClaimerFactory | A non-copyable factory for instantiating TopologyClaimers by name. Commonly used TopologyClaimers are registered in the constructor. Additional claimers can be registered after the fact using the add_type() method. APL Question: Should this be one-instance-per-program (singleton) or one-instance-per-job? |
| CCmdLineData | |
| CFragmentContainer | |
| ►Ntrajectory | |
| CDbTrajectoryReader | |
| ►CDbTrajectoryWriter | |
| CFrame | |
| ►NtrRosetta | |
| CtrRosettaOutputs_v1 | A class for the outputs of trRosetta version 1. This stores distance, phi, theta, and omega probability distributions |
| CtrRosettaOutputsBase | A pure virtual base class for the outputs of trRosetta. Derived classes are for particular trRosetta versions (to allow for future versions providing additional outputs) |
| CtrRosettaProtocol_v1 | Version 1 model for trRosetta |
| CtrRosettaProtocolBase | A pure virtual base class for trRosetta protocols, derived from RosettaTensorflowProtocolBase |
| ►NtrRosetta_protocols | |
| ►Nconstraint_generators | |
| CtrRosettaConstraintGenerator | A module that runs a trRosetta neural network on an input multiple sequence alignment and uses the output to apply distance and/or angle constraints to a pose for subsequent structure prediction or refinement |
| CtrRosettaConstraintGeneratorCreator | |
| ►Nmovers | |
| CtrRosettaProtocolMover | The full trRosetta structure prediction protocol from Yang et al, converted to C++ and implemented as a mover |
| CtrRosettaProtocolMoverCreator | |
| ►Nub_e2c | |
| Cubi_e2c_modeler | |
| ►Nunfolded_state_energy_calculator | |
| CUnfoldedStateEnergyCalculatorJobDistributor | |
| CUnfoldedStateEnergyCalculatorMover | |
| CUnfoldedStateEnergyCalculatorMPIWorkPoolJobDistributor | |
| ►Nvardist_solaccess | |
| CLoadVarSolDistSasaCalculatorMoverCreator | |
| CLoadVarSolDistSasaCalculatorMover | Handles sphere-sphere overlap calculations |
| CVarSolDRotamerDots | Handles sphere-sphere overlap calculations |
| CVarSolDistSasaCalculator | |
| ►Nviewer | |
| CGraphicsState | |
| CSilentObserver | |
| Ctriangle | |
| CtriangleIterator | |
| ►Nvip | |
| CVIP_Mover | |
| CVIP_Report | |
| ►Nwum | |
| CDatabaseEntryWorkUnit | |
| CMoverList | |
| CMPI_WorkUnitManager | |
| CMPI_WorkUnitManager_Slave | |
| Csort_SilentStructOPs | |
| Cfind_SilentStructOPs | This little class is a predicate for finding silent structures in say a vector of silent structures |
| CSilentStructStore | |
| ►CWorkUnitBase | The base class for all work units |
| CWU_Header | This structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc. |
| CWorkUnit_Wait | |
| CWorkUnit_SilentStructStore | This WorkUnit type has structures in it. Most Workunits should derive from this one rather THe the Base class |
| CWorkUnit_MoverWrapper | This WorkUnit type can encapsulate any MoverOP. When registering this WOrkunit provide it with a MoverOP and then, when executed on the slaves, this workunit will run the mover On every single input structure and return the results |
| CWorkUnitList | WOrkUnitList is a store for WorkUnitCOPs. THe purpose of this class is to store all the possible WorkUnits that a protocol might need. When needed these are cloned and then used. THis class acts like a library of WorkUnit blueprints |
| CWorkUnitQueue | |
| CWorkUnitQueue_Swapped | |
| CWorkUnitManager | |
| CLoopRebuild | The loop-rebuild protocol |
| CLoopRefine | Class LoopRefine for fullatom loop refinement |
| CRBSegmentRelaxImpl | |
| ►Npybind11 | |
| ►Ndetail | |
| Cunsafe_nonpod_npy_format_descriptor | |
| ►Nupdate_ResidueType_enum_files | |
| CEnumInfo | |
| CA | Of residues |
| CAlternating | |
| CAn | |
| CAtomTypeData | Hybridization and bond geometry data, which is used in Atom |
| Ccomparator | |
| CComputes | |
| CCrossoverBehavior | |
| CE | |
| CG | |
| CIdentifyLigandMotifs | |
| CImplements | |
| CLigandDiscoverySearch | |
| CSimple | Associates fragment indices with Gunn scores |
| CTransformation | |
| CTrial | |
| CV |
1.9.1