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Rosetta
2021.16
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Rosetta
2021.16
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replace proton with ethyl More...
#include <PatchOperation.hh>
Public Member Functions | |
| ReplaceProtonWithEthyl (std::string const &atom) | |
| constructor More... | |
| bool | apply (MutableResidueType &rsd) const override |
| replace proton with ethyl More... | |
| std::string | name () const override |
| Return the name of this PatchOperation ("ReplaceProtonWithEthyl"). More... | |
 Public Member Functions inherited from core::chemical::PatchOperation | |
| ~PatchOperation () override | |
| Automatically generated virtual destructor for class deriving directly from VirtualBase. More... | |
| virtual utility::vector1 < std::string > | adds_atoms () |
| Which atom(s), if any, is/are added. Used for fast matching of ResidueType/Patches to PDB residues. More... | |
| virtual std::string | deletes_atom () |
| Which atom, if any, is deleted. Used for fast matching of ResidueType/Patches to PDB residues. More... | |
| virtual std::string | adds_property () const |
| Which property, if any, is added. More... | |
| virtual ResidueProperty | adds_property_enum () const |
| Which property, if any, is added. More... | |
| virtual std::string | deletes_property () const |
| Which property, if any, is deleted. More... | |
| virtual ResidueProperty | deletes_property_enum () const |
| Which property, if any, is deleted. More... | |
| virtual std::string | deletes_variant () const |
| Which variant, if any, is deleted. More... | |
| virtual VariantType | deletes_variant_enum () const |
| Which variant, if any, is deleted, by enum. More... | |
| virtual bool | may_change_aa () |
| Generates a new aa. More... | |
| virtual bool | changes_connections_on (ResidueType const &, std::string const &) const |
| Can this case change connections for the atom on the residue? More... | |
| virtual std::string | generates_name3 () |
| Generates name3. More... | |
| virtual std::string | generates_interchangeability_group () |
| Generates interchangeability_group. More... | |
| virtual bool | generates_base_residue_type () const |
| Generates base residue – legacy for D_AA – do not use otherwise. More... | |
| virtual bool | applies_to_placeholder () const |
| Special – does this apply to 'minimal', placeholder types? Generally true, unless updating aa or name3. More... | |
Private Attributes | |
| std::string | atom_ |
replace proton with ethyl
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inline |
constructor
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overridevirtual |
replace proton with ethyl
Implements core::chemical::PatchOperation.
References core::chemical::MutableResidueType::add_atom(), core::chemical::MutableResidueType::add_bond(), core::chemical::MutableResidueType::add_chi(), core::chemical::MutableResidueType::add_chi_rotamer(), core::chemical::AROMATIC_CARBON_WITH_FREE_VALENCE, core::chemical::MutableResidueType::atom(), atom_, core::chemical::MutableResidueType::atom_vertex(), core::chemical::MutableResidueType::bonded_hydrogens(), core::chemical::MutableResidueType::delete_atom(), core::chemical::find_bonds_in_rings(), core::chemical::MutableResidueType::icoor(), core::chemical::MutableResidueType::nchi(), core::chemical::rosetta_recharge_fullatom(), core::chemical::MutableResidueType::set_icoor(), and core::chemical::Atom::set_property().
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overridevirtual |
Return the name of this PatchOperation ("ReplaceProtonWithEthyl").
Implements core::chemical::PatchOperation.
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private |
Referenced by apply().
1.8.7