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

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

◆ PDB_BUFFER_LENGTH

#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