core::chemical::RedefineChi Class Reference

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

#include <PatchOperation.hh>

Inheritance diagram for core::chemical::RedefineChi:

Collaboration diagram for core::chemical::RedefineChi:

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 (ResidueType &rsd) const
	redefine 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

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

Definition at line 336 of file PatchOperation.hh.

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  )

inline

constructor

Definition at line 340 of file PatchOperation.hh.

Member Function Documentation

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

inlinevirtual

redefine a chi angle

Implements core::chemical::PatchOperation.

Definition at line 349 of file PatchOperation.hh.

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

Member Data Documentation

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

private

Definition at line 372 of file PatchOperation.hh.

Referenced by apply().

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

private

Definition at line 373 of file PatchOperation.hh.

Referenced by apply().

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

private

Definition at line 374 of file PatchOperation.hh.

Referenced by apply().

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

private

Definition at line 375 of file PatchOperation.hh.

Referenced by apply().

Size core::chemical::RedefineChi::chino_

private

atoms between which a chi angle is added

Definition at line 371 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