PdbResidue Class Reference

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

#include <Pdb.h>

List of all members.

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)
size_t	getNAtoms () const
Protected Member Functions
void	parsePdbLine (const String &line)
Friends
class	PdbChain

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Detailed Description

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

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Constructor & Destructor Documentation

PdbResidue	(	String	name,
		PdbResidueId	id
	)			[explicit]

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

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

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Member Function Documentation

void addAtom

(

const PdbAtom &

atom

)

const PdbAtom& getAtom

(

Pdb::AtomIndex

atomIx

)

const [inline]

const PdbAtom& getAtom

(

String

argName

)

const

char getInsertionCode

(

)

const [inline]

const char* getName

(

)

const [inline]

size_t getNAtoms

(

)

const [inline]

size_t getNumAtoms

(

)

const [inline]

int getPdbResidueNumber

(

)

const [inline]

const PdbResidueId& getResidueId

(

)

const [inline]

Referenced by PdbChain::appendResidue().

bool hasAtom

(

SimTK::String

argName

)

const

void parsePdbLine

(

const String &

line

)

[protected]

PdbAtom& updAtom

(

String

argName

)

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

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Friends And Related Function Documentation

friend class PdbChain [friend]

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

• Pdb.h