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core::pack::rotamers::SingleLigandRotamerLibrary Member List

This is the complete list of members for core::pack::rotamers::SingleLigandRotamerLibrary, including all inherited members.

assign_random_rotamer_with_bias(conformation::Residue const &, pose::Pose const &, dunbrack::RotamerLibraryScratchSpace &, numeric::random::RandomGenerator &, dunbrack::ChiVector &, bool) const overridecore::pack::rotamers::SingleLigandRotamerLibraryinlinevirtual
atom_positions_core::pack::rotamers::SingleLigandRotamerLibraryprivate
atoms_w_dof_derivatives(conformation::Residue const &rsd, pose::Pose const &pose) const overridecore::pack::rotamers::SingleLigandRotamerLibraryvirtual
best_rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, bool curr_rotamer_only, dunbrack::RotamerLibraryScratchSpace &scratch) const overridecore::pack::rotamers::SingleLigandRotamerLibraryvirtual
build_base_rotamers(chemical::ResidueType const &restype, RotamerVector &base_rotamers) const core::pack::rotamers::SingleLigandRotamerLibrary
bump_check(core::conformation::ResidueCOP rotamer, core::Size resid, scoring::ScoreFunction const &sf, pose::Pose const &pose, task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
bump_filter(RotamerVector &rotamers, core::Size resid, scoring::ScoreFunction const &sf, pose::Pose const &pose, task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
compute_proton_chi_samplings(chemical::ResidueType const &concrete_residue, pack::task::ResidueLevelTask const &rlt, bool buried) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
current_rotamer(RotamerVector &rotamers, core::Size resid, task::PackerTask const &task, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
emergency_rotamer(RotamerVector &rotamers, core::Size resid, pose::Pose const &pose, task::PackerTask const &task, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
expand_proton_chis(utility::vector1< utility::vector1< core::Real > > const &sampling, chemical::ResidueType const &concrete_residue, core::Size max_rotamers=5000) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
fill_missing_atoms(utility::vector1< bool > missing, conformation::ResidueOP rsd, utility::vector1< bool > &missed) const core::pack::rotamers::SingleLigandRotamerLibraryprivate
fill_rotamer_vector(pose::Pose const &pose, scoring::ScoreFunction const &scorefxn, pack::task::PackerTask const &task, utility::graph::GraphCOP, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue, utility::vector1< utility::vector1< Real > > const &extra_chi_steps, bool buried, RotamerVector &rotamers) const overridecore::pack::rotamers::SingleLigandRotamerLibraryvirtual
get_atom_positions() const core::pack::rotamers::SingleLigandRotamerLibraryinline
get_reference_energy() const core::pack::rotamers::SingleLigandRotamerLibraryinline
init_from_file(std::string const &filename, chemical::ResidueType const &restype)core::pack::rotamers::SingleLigandRotamerLibraryvirtual
init_from_vector(utility::vector1< NamePosMap > const &coordinates)core::pack::rotamers::SingleLigandRotamerLibrary
operator==(SingleResidueRotamerLibrary const &) const core::pack::rotamers::SingleResidueRotamerLibraryvirtual
ref_energy_core::pack::rotamers::SingleLigandRotamerLibraryprivate
rotamer_energy(conformation::Residue const &rsd, pose::Pose const &pose, dunbrack::RotamerLibraryScratchSpace &scratch) const overridecore::pack::rotamers::SingleLigandRotamerLibraryvirtual
rotamer_energy_deriv(conformation::Residue const &rsd, pose::Pose const &pose, dunbrack::RotamerLibraryScratchSpace &scratch) const overridecore::pack::rotamers::SingleLigandRotamerLibraryvirtual
set_reference_energy(Real ref_E_in)core::pack::rotamers::SingleLigandRotamerLibraryinline
SingleLigandRotamerLibrary()core::pack::rotamers::SingleLigandRotamerLibrary
SingleResidueRotamerLibrary()core::pack::rotamers::SingleResidueRotamerLibraryinline
virtual_sidechain(RotamerVector const &rotamers, core::Size resid, pose::Pose const &pose, task::PackerTask const &task, chemical::ResidueTypeCOP concrete_residue, conformation::Residue const &existing_residue) const core::pack::rotamers::SingleResidueRotamerLibrary
write_to_file(utility::io::ozstream &out) const overridecore::pack::rotamers::SingleLigandRotamerLibraryvirtual
~SingleLigandRotamerLibrary() overridecore::pack::rotamers::SingleLigandRotamerLibrary
~SingleResidueRotamerLibrary() overridecore::pack::rotamers::SingleResidueRotamerLibrary