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core::chemical::AddChiRotamer Class Reference

Add a rotamer sample to a chi angle of the ResidueType. More...

#include <PatchOperation.hh>

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

 AddChiRotamer (Size const &chino_in, Angle const &mean_in, Angle const &sdev_in)
 Constructor for when the chi index is specified. More...
 
 AddChiRotamer (Angle const &mean_in, Angle const &sdev_in)
 Constructor for when the chi index is not specified. More...
 
bool apply (MutableResidueType &rsd) const override
 Add a rotamer sample. More...
 
std::string name () const override
 Return the name of this PatchOperation ("AddChiRotamer"). 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

bool no_index_
 
Size chino_
 
Real mean_
 
Real sdev_
 

Detailed Description

Add a rotamer sample to a chi angle of the ResidueType.

Author
Added by Andy M. Chen in June 2009

This is needed for PTMs.

Constructor & Destructor Documentation

core::chemical::AddChiRotamer::AddChiRotamer ( Size const &  chino_in,
Angle const &  mean_in,
Angle const &  sdev_in 
)

Constructor for when the chi index is specified.

core::chemical::AddChiRotamer::AddChiRotamer ( Angle const &  mean_in,
Angle const &  sdev_in 
)

Constructor for when the chi index is not specified.

In this case, the rotamer sample will be added to the last chi when this operation is applied.

Author
Labonte

Member Function Documentation

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

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

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

Implements core::chemical::PatchOperation.

Member Data Documentation

Size core::chemical::AddChiRotamer::chino_
private

Referenced by apply().

Real core::chemical::AddChiRotamer::mean_
private

Referenced by apply().

bool core::chemical::AddChiRotamer::no_index_
private

Referenced by apply().

Real core::chemical::AddChiRotamer::sdev_
private

Referenced by apply().


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