core::io::pdb::ResidueInformation Class Reference

Intermediate format for easy construction of core::conformation::Residue objects. More...

#include <file_data.hh>

Public Member Functions
	ResidueInformation ()
	default constructor to initialize all values More...
	ResidueInformation (AtomInformation const &ai)
bool	operator== (ResidueInformation const &that) const
bool	operator!= (ResidueInformation const &that) const

Public Attributes
String	resid
	For now, all member names have the same names as fields in PDB standard. More...
String	resName
char	chainID
int	resSeq
char	iCode
int	terCount
utility::vector1< AtomInformation >	atoms
std::map< std::string, Vector >	xyz
std::map< std::string, double >	temps

Detailed Description

Intermediate format for easy construction of core::conformation::Residue objects.

Subset of data from "ATOM" lines that is shared by all atoms in a residue.

Constructor & Destructor Documentation

core::io::pdb::ResidueInformation::ResidueInformation

(

)

default constructor to initialize all values

References xyz.

core::io::pdb::ResidueInformation::ResidueInformation

(

AtomInformation const &

ai

)

References xyz.

Member Function Documentation

bool core::io::pdb::ResidueInformation::operator!=

(

ResidueInformation const &

that

)

const

bool core::io::pdb::ResidueInformation::operator==

(

ResidueInformation const &

that

)

const

References chainID, iCode, resName, resSeq, and terCount.

Member Data Documentation

utility::vector1< AtomInformation > core::io::pdb::ResidueInformation::atoms

Referenced by core::io::pdb::convert_nucleic_acid_atom_names_to_standard(), core::io::pdb::convert_nucleic_acid_residue_info_to_standard(), and core::io::pdb::FileData::create_working_data().

char core::io::pdb::ResidueInformation::chainID

Referenced by core::io::pdb::build_pose_as_is1(), core::io::pdb::FileData::init_from_pose(), and operator==().

char core::io::pdb::ResidueInformation::iCode

Referenced by core::io::pdb::FileData::init_from_pose(), and operator==().

String core::io::pdb::ResidueInformation::resid

For now, all member names have the same names as fields in PDB standard.

Referenced by core::io::pdb::build_pose_as_is1(), core::io::pdb::FileData::create_working_data(), and core::io::pdb::FileData::init_from_pose().

String core::io::pdb::ResidueInformation::resName

Referenced by core::io::pdb::build_pose_as_is1(), core::io::pdb::convert_nucleic_acid_residue_info_to_standard(), core::io::pdb::FileData::get_residue_information(), core::io::pdb::FileData::init_from_pose(), and operator==().

int core::io::pdb::ResidueInformation::resSeq

Referenced by core::io::pdb::FileData::init_from_pose(), and operator==().

std::map< std::string, double > core::io::pdb::ResidueInformation::temps

Referenced by core::io::pdb::build_pose_as_is1(), core::io::pdb::convert_nucleic_acid_atom_names_to_standard(), and core::io::pdb::FileData::create_working_data().

int core::io::pdb::ResidueInformation::terCount

Referenced by core::io::pdb::build_pose_as_is1(), and operator==().

std::map< std::string, Vector > core::io::pdb::ResidueInformation::xyz

Referenced by core::io::pdb::build_pose_as_is1(), core::io::pdb::convert_nucleic_acid_atom_names_to_standard(), and core::io::pdb::FileData::create_working_data().

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

• symlinks/rosetta/src/core/io/pdb/file_data.hh
• symlinks/rosetta/src/core/io/pdb/file_data.cc