cpdb.cpp File Reference

#include <string.h>
#include <stdlib.h>
#include "cpdb.h"

Macros
#define	INC_CAPACITY   15;

Functions
int	extractStr (char *dest, const char *src, int begin, int end)
void	getAtomType (const char *line, char *out)
void	getResType (const char *line, char *out)
void	getAtomElement (const char *line, char *out)
void	getCoordinates (const char *line, float3 *out)
void	getAtomId (const char *line, int *atomId)
void	getResidueId (const char *line, int *residueId)
void	getAlternativeLoc (const char *line, char *altLoc)
void	getChainId (const char *line, char *chainId)
void	getOccupancy (const char *line, float *occupancy)
void	getTempFactor (const char *line, float *tempFactor)
void	updateResiduePointers (chain *C)
void	updateAtomPointers (residue *R)
pdb *	initPDB ()
int	parsePDB (char *pdbFilePath, pdb *P, char *options)
int	writePDB (const char *filename, const pdb *P)
int	writeFilePDB (FILE *F, const pdb *P)
int	printPDB (pdb *P)
void	freePDB (pdb *P)
void	appendChaintoPdb (pdb *P, chain newChain)
void	appendResiduetoChain (chain *C, residue newResidue)
void	appendAtomtoResidue (residue *R, atom newAtom)

Macro Definition Documentation

INC_CAPACITY

#define INC_CAPACITY   15;

Function Documentation

appendAtomtoResidue()

void appendAtomtoResidue	(	residue *	R,
		atom	newAtom
	)

appendChaintoPdb()

void appendChaintoPdb	(	pdb *	P,
		chain	newChain
	)

appendResiduetoChain()

void appendResiduetoChain	(	chain *	C,
		residue	newResidue
	)

extractStr()

int extractStr	(	char *	dest,
		const char *	src,
		int	begin,
		int	end
	)

freePDB()

void freePDB

(

pdb *

P

)

getAlternativeLoc()

void getAlternativeLoc	(	const char *	line,
		char *	altLoc
	)

getAtomElement()

void getAtomElement	(	const char *	line,
		char *	out
	)

getAtomId()

void getAtomId	(	const char *	line,
		int *	atomId
	)

getAtomType()

void getAtomType	(	const char *	line,
		char *	out
	)

getChainId()

void getChainId	(	const char *	line,
		char *	chainId
	)

getCoordinates()

void getCoordinates	(	const char *	line,
		float3 *	out
	)

getOccupancy()

void getOccupancy	(	const char *	line,
		float *	occupancy
	)

getResidueId()

void getResidueId	(	const char *	line,
		int *	residueId
	)

getResType()

void getResType	(	const char *	line,
		char *	out
	)

getTempFactor()

void getTempFactor	(	const char *	line,
		float *	tempFactor
	)

initPDB()

pdb* initPDB

(

void

)

parsePDB()

int parsePDB	(	char *	pdbFilePath,
		pdb *	P,
		char *	options
	)

printPDB()

int printPDB

(

pdb *

P

)

updateAtomPointers()

void updateAtomPointers

(

residue *

R

)

updateResiduePointers()

void updateResiduePointers

(

chain *

C

)

writeFilePDB()

int writeFilePDB	(	FILE *	F,
		const pdb *	P
	)

writePDB()

int writePDB	(	const char *	filename,
		const pdb *	P
	)