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core::chemical::RedefineChi Class Reference

Redefine a chi angle Added by Andy M. Chen in June 2009 This is needed for certain PTMs. More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::RedefineChi:
Inheritance graph
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Public Member Functions

 RedefineChi (Size const &chino_in, std::string const &atom1_in, std::string const &atom2_in, std::string const &atom3_in, std::string const &atom4_in)
 constructor More...
 
bool apply (MutableResidueType &rsd) const override
 redefine a chi angle More...
 
std::string name () const override
 Return the name of this PatchOperation ("RedefineChi"). 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 ()
 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

Size chino_
 atoms between which a chi angle is added More...
 
std::string atom1_
 
std::string atom2_
 
std::string atom3_
 
std::string atom4_
 

Detailed Description

Redefine a chi angle Added by Andy M. Chen in June 2009 This is needed for certain PTMs.

Constructor & Destructor Documentation

core::chemical::RedefineChi::RedefineChi ( Size const &  chino_in,
std::string const &  atom1_in,
std::string const &  atom2_in,
std::string const &  atom3_in,
std::string const &  atom4_in 
)

constructor

Member Function Documentation

bool core::chemical::RedefineChi::apply ( MutableResidueType rsd) const
overridevirtual
std::string core::chemical::RedefineChi::name ( ) const
overridevirtual

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

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

Implements core::chemical::PatchOperation.

Member Data Documentation

std::string core::chemical::RedefineChi::atom1_
private

Referenced by apply().

std::string core::chemical::RedefineChi::atom2_
private

Referenced by apply().

std::string core::chemical::RedefineChi::atom3_
private

Referenced by apply().

std::string core::chemical::RedefineChi::atom4_
private

Referenced by apply().

Size core::chemical::RedefineChi::chino_
private

atoms between which a chi angle is added

Referenced by apply().


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