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Rosetta
2020.11
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Rosetta
2020.11
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set the residue neighbor radius More...
#include <PatchOperation.hh>
Public Member Functions | |
| SetAllAtomsRepulsive () | |
| constructor More... | |
| bool | apply (MutableResidueType &rsd) const override |
| set the residue neighbor atom More... | |
| std::string | name () const override |
| Return the name of this PatchOperation ("SetAllAtomsRepulsive"). 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 () 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 () |
| 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... | |
set the residue neighbor radius
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inline |
constructor
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overridevirtual |
set the residue neighbor atom
Add a connection to the residue's sulfur and make a virtual proton to track the position of the connection atom.
Implements core::chemical::PatchOperation.
References core::chemical::MutableResidueType::all_atoms(), core::chemical::MutableResidueType::atom(), core::chemical::Atom::is_hydrogen(), and core::chemical::MutableResidueType::set_atom_type().
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overridevirtual |
Return the name of this PatchOperation ("SetAllAtomsRepulsive").
Implements core::chemical::PatchOperation.
1.8.7