cpdb.h File Reference

#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <math.h>

Go to the source code of this file.

Classes
struct	float4
struct	float3
struct	int3
struct	int2
struct	atom
struct	residue
struct	chain
struct	pdb

Macros
#define	COMMIT_CPDB   COMMITSHA1

Typedefs
typedef struct pdb	pdb
typedef struct chain	chain
typedef struct residue	residue
typedef struct atom	atom

Functions
pdb *	initPDB (void)
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)
atom *	getAtom (residue *resA, char *atomType)
float	distanceAtom (atom *A, atom *B)

Macro Definition Documentation

COMMIT_CPDB

#define COMMIT_CPDB   COMMITSHA1

Typedef Documentation

atom

typedef struct atom atom

chain

typedef struct chain chain

pdb

typedef struct pdb pdb

residue

typedef struct residue residue

Function Documentation

appendAtomtoResidue()

void appendAtomtoResidue	(	residue *	R,
		atom	newAtom
	)

appendChaintoPdb()

void appendChaintoPdb	(	pdb *	P,
		chain	newChain
	)

appendResiduetoChain()

void appendResiduetoChain	(	chain *	C,
		residue	newResidue
	)

distanceAtom()

float distanceAtom	(	atom *	A,
		atom *	B
	)

freePDB()

void freePDB

(

pdb *

P

)

getAtom()

atom* getAtom	(	residue *	resA,
		char *	atomType
	)

initPDB()

pdb* initPDB

(

void

)

parsePDB()

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

printPDB()

int printPDB

(

pdb *

P

)

writeFilePDB()

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

writePDB()

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