core::chemical::ChiralFlipNaming Class Reference

Execute chiral flip (primarily: at CA) More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::ChiralFlipNaming:

Public Member Functions
	ChiralFlipNaming ()
	constructor More...
bool	applies_to_placeholder () const override
	Special – does this apply to 'minimal', placeholder types? Generally true, unless updating aa or name3. More...
bool	may_change_aa () override
	Generates a new aa. More...
bool	apply (MutableResidueType &rsd) const override
	set the NCAA rotamer library path in the residue type More...
std::string	name () const override
	Return the name of this PatchOperation ("ChiralFlipNaming"). More...
bool	generates_base_residue_type () const override
	This patch operaton DOES result in a new base residue type. 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	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...

Detailed Description

Execute chiral flip (primarily: at CA)

Constructor & Destructor Documentation

core::chemical::ChiralFlipNaming::ChiralFlipNaming ( )

inline

constructor

Member Function Documentation

bool core::chemical::ChiralFlipNaming::applies_to_placeholder ( ) const

inlineoverridevirtual

Special – does this apply to 'minimal', placeholder types? Generally true, unless updating aa or name3.

Reimplemented from core::chemical::PatchOperation.

bool core::chemical::ChiralFlipNaming::apply ( MutableResidueType &  rsd ) const

overridevirtual

set the NCAA rotamer library path in the residue type

Implements core::chemical::PatchOperation.

References core::chemical::ResidueTypeBase::aa(), core::chemical::aa_dal, core::chemical::aa_dan, core::chemical::aa_dar, core::chemical::aa_das, core::chemical::aa_dcs, core::chemical::aa_dgn, core::chemical::aa_dgu, core::chemical::aa_dhi, core::chemical::aa_dil, core::chemical::aa_dle, core::chemical::aa_dly, core::chemical::aa_dme, core::chemical::aa_dph, core::chemical::aa_dpr, core::chemical::aa_dse, core::chemical::aa_dth, core::chemical::aa_dtr, core::chemical::aa_dty, core::chemical::aa_dva, core::chemical::aa_tyr, core::chemical::ResidueTypeBase::backbone_aa(), core::chemical::ResidueTypeBase::base_name(), core::chemical::get_D_equivalent(), core::chemical::get_L_equivalent(), core::chemical::ResidueTypeBase::interchangeability_group(), core::chemical::is_canonical_D_aa(), core::chemical::is_canonical_L_aa_excluding_gly(), core::chemical::ResidueTypeBase::is_peptoid(), core::chemical::ResidueTypeBase::is_s_peptoid(), core::chemical::na_lra, core::chemical::na_lrc, core::chemical::na_lrg, core::chemical::na_lur, core::chemical::na_rad, core::chemical::na_rcy, core::chemical::na_rgu, core::chemical::na_ura, core::chemical::ResidueTypeBase::name(), and core::chemical::ResidueTypeBase::name3().

bool core::chemical::ChiralFlipNaming::generates_base_residue_type ( ) const

overridevirtual

This patch operaton DOES result in a new base residue type.

Reimplemented from core::chemical::PatchOperation.

bool core::chemical::ChiralFlipNaming::may_change_aa ( )

inlineoverridevirtual

Generates a new aa.

Reimplemented from core::chemical::PatchOperation.

std::string core::chemical::ChiralFlipNaming::name ( ) const

overridevirtual

Return the name of this PatchOperation ("ChiralFlipNaming").

Author

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu).

Implements core::chemical::PatchOperation.

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The documentation for this class was generated from the following files:

• src/core/chemical/PatchOperation.hh
• src/core/chemical/PatchOperation.cc