readpdb.h File Reference

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

Namespaces
	PLMD
	PLMD::molfile

Macros
#define	READ_PDB_H
#define	PDB_RECORD_LENGTH   80 /* actual record size */
#define	PDB_BUFFER_LENGTH   83 /* size need to buffer + CR, LF, and NUL */
#define	VMDUSECONECTRECORDS   1

Enumerations
enum	{   PLMD::molfile::PDB_HEADER, PLMD::molfile::PDB_REMARK, PLMD::molfile::PDB_ATOM, PLMD::molfile::PDB_CONECT,   PLMD::molfile::PDB_UNKNOWN, PLMD::molfile::PDB_END, PLMD::molfile::PDB_EOF, PLMD::molfile::PDB_CRYST1 }

Functions
static int	PLMD::molfile::read_pdb_record (FILE *f, char *retStr)
static void	PLMD::molfile::get_pdb_cryst1 (const char *record, float *alpha, float *beta, float *gamma, float *a, float *b, float *c)
static void	PLMD::molfile::get_pdb_coordinates (const char *record, float *x, float *y, float *z, float *occup, float *beta)
static void	PLMD::molfile::adjust_pdb_field_string (char *field)
static void	PLMD::molfile::get_pdb_header (const char *record, char *pdbcode, char *date, char *classification)
static void	PLMD::molfile::get_pdb_conect (const char *record, int natoms, int *idxmap, int *maxbnum, int *nbonds, int **from, int **to)
static void	PLMD::molfile::get_pdb_fields (const char *record, int reclength, int *serial, char *name, char *resname, char *chain, char *segname, char *resid, char *insertion, char *altloc, char *elementsymbol, float *x, float *y, float *z, float *occup, float *beta)
static int	PLMD::molfile::write_raw_pdb_record (FILE *fd, const char *recordname, int index, const char *atomname, const char *resname, int resid, const char *insertion, const char *altloc, const char *elementsymbol, float x, float y, float z, float occ, float beta, const char *chain, const char *segname)

Macro Definition Documentation

#define PDB_BUFFER_LENGTH   83 /* size need to buffer + CR, LF, and NUL */

#define PDB_RECORD_LENGTH   80 /* actual record size */

#define READ_PDB_H

#define VMDUSECONECTRECORDS   1