core::chemical::AddChi Class Reference

Add a chi angle to ResidueType Added by Andy M. Chen in June 2009 This is needed for PTM's, which often result in one or more extra chi angles. More...

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::AddChi:

Collaboration diagram for core::chemical::AddChi:

Public Member Functions
	AddChi (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 (ResidueType &rsd) const
	add a chi angle More...
Public Member Functions inherited from core::chemical::PatchOperation
virtual	~PatchOperation ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. 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

Add a chi angle to ResidueType Added by Andy M. Chen in June 2009 This is needed for PTM's, which often result in one or more extra chi angles.

Definition at line 263 of file PatchOperation.hh.

Constructor & Destructor Documentation

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

inline

constructor

Definition at line 267 of file PatchOperation.hh.

Member Function Documentation

bool core::chemical::AddChi::apply ( ResidueType &  rsd) const

inlinevirtual

add a chi angle

Implements core::chemical::PatchOperation.

Definition at line 276 of file PatchOperation.hh.

References core::chemical::ResidueType::add_chi(), atom1_, atom2_, atom3_, atom4_, chino_, core::chemical::ResidueType::has(), core::chemical::ResidueType::name(), and core::chemical::TR_PatchOperations().

Member Data Documentation

std::string core::chemical::AddChi::atom1_

private

Definition at line 299 of file PatchOperation.hh.

Referenced by apply().

std::string core::chemical::AddChi::atom2_

private

Definition at line 300 of file PatchOperation.hh.

Referenced by apply().

std::string core::chemical::AddChi::atom3_

private

Definition at line 301 of file PatchOperation.hh.

Referenced by apply().

std::string core::chemical::AddChi::atom4_

private

Definition at line 302 of file PatchOperation.hh.

Referenced by apply().

Size core::chemical::AddChi::chino_

private

atoms between which a chi angle is added

Definition at line 298 of file PatchOperation.hh.

Referenced by apply().

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

• src/core/chemical/PatchOperation.hh