One residue in a protein or nucleic acid, or a single molecule in the case of non-polymer structures. More...

#include <Pdb.h>

Public Member Functions
	PdbResidue (String name, PdbResidueId id)
	PdbResidue (const class Compound &compound, int residueNumber, const Transform &transform=Transform())
	PdbResidue (const State &state, const class Compound &compound, int residueNumber, const Transform &transform=Transform())
std::ostream &	write (std::ostream &os, int &nextAtomSerialNumber, char chainId, const Transform &transform) const
bool	hasAtom (SimTK::String argName) const
const PdbAtom &	getAtom (String argName) const
PdbAtom &	updAtom (String argName)
const PdbResidueId &	getResidueId () const
const char *	getName () const
int	getPdbResidueNumber () const
char	getInsertionCode () const
size_t	getNumAtoms () const
const PdbAtom &	getAtom (Pdb::AtomIndex atomIx) const
void	addAtom (const PdbAtom &atom)
Protected Member Functions
void	parsePdbLine (const String &line)
Friends
class	PdbChain

Detailed Description

One residue in a protein or nucleic acid, or a single molecule in the case of non-polymer structures.

Constructor & Destructor Documentation

SimTK::PdbResidue::PdbResidue	(	String	name,
		PdbResidueId	id
	)		`[explicit]`

SimTK::PdbResidue::PdbResidue	(	const class Compound &	compound,
		int	residueNumber,
		const Transform &	transform = `Transform()`
	)		`[explicit]`

SimTK::PdbResidue::PdbResidue	(	const State &	state,
		const class Compound &	compound,
		int	residueNumber,
		const Transform &	transform = `Transform()`
	)		`[explicit]`

std::ostream& SimTK::PdbResidue::write	(	std::ostream &	os,
		int &	nextAtomSerialNumber,
		char	chainId,
		const Transform &	transform
	)		const

bool SimTK::PdbResidue::hasAtom ( SimTK::String argName ) const

const PdbAtom& SimTK::PdbResidue::getAtom ( String argName ) const

PdbAtom& SimTK::PdbResidue::updAtom ( String argName )

const PdbResidueId& SimTK::PdbResidue::getResidueId ( ) const [inline]

const char* SimTK::PdbResidue::getName ( ) const [inline]

int SimTK::PdbResidue::getPdbResidueNumber ( ) const [inline]

char SimTK::PdbResidue::getInsertionCode ( ) const [inline]

size_t SimTK::PdbResidue::getNumAtoms ( ) const [inline]

const PdbAtom& SimTK::PdbResidue::getAtom ( Pdb::AtomIndex atomIx ) const [inline]

void SimTK::PdbResidue::addAtom ( const PdbAtom & atom )

void SimTK::PdbResidue::parsePdbLine ( const String & line ) [protected]

friend class PdbChain [friend]

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