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Rosetta
3.8
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Rosetta
3.8
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replace proton with trifluoromethyl More...
#include <PatchOperation.hh>
Public Member Functions | |
| ReplaceProtonWithTrifluoromethyl (std::string atom) | |
| constructor More... | |
| bool | apply (ResidueType &rsd) const override |
| replace proton with trifluoromethyl More... | |
 Public Member Functions inherited from core::chemical::PatchOperation | |
| ~PatchOperation () override | |
| Automatically generated virtual destructor for class deriving directly from ReferenceCount. More... | |
| virtual std::string | adds_atom () |
| Which atom, if any, is 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 () |
| Which property, if any, is added. More... | |
| virtual std::string | deletes_property () |
| Which property, if any, is deleted. More... | |
| virtual std::string | deletes_variant () |
| Which variant, if any, is deleted. More... | |
| virtual bool | may_change_aa () |
| Generates a new aa. More... | |
| virtual std::string | generates_name3 () |
| Generates name3. More... | |
| virtual std::string | generates_interchangeability_group () |
| Generates interchangeability_group. More... | |
| virtual bool | generates_base_residue () |
| 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 trifluoromethyl
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inline |
constructor
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overridevirtual |
replace proton with trifluoromethyl
Implements core::chemical::PatchOperation.
References core::chemical::ResidueType::add_atom(), core::chemical::ResidueType::add_bond(), core::chemical::AROMATIC_CARBON_WITH_FREE_VALENCE, core::chemical::ResidueType::atom(), core::chemical::ResidueType::atom_index(), core::chemical::ResidueType::atom_name(), core::chemical::ICoorAtomID::atomno(), core::chemical::ResidueType::attached_H_begin(), core::chemical::ResidueType::bonded_neighbor(), core::chemical::ResidueType::delete_atom(), core::chemical::find_bonds_in_rings(), core::chemical::ResidueType::icoor(), core::chemical::Atom::is_haro(), core::chemical::Atom::mm_name(), core::chemical::ResidueType::natoms(), core::chemical::ResidueType::number_bonded_hydrogens(), core::chemical::AtomICoor::phi(), core::chemical::rosetta_recharge_fullatom(), core::chemical::ResidueType::set_icoor(), core::chemical::Atom::set_property(), core::chemical::AtomICoor::stub_atom1(), core::chemical::AtomICoor::stub_atom2(), core::chemical::AtomICoor::stub_atom3(), and core::chemical::AtomICoor::theta().
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private |
1.8.7