Main Page   Alphabetical List   Compound List   File List   Compound Members   File Members   Related Pages  

mmcif.C File Reference

#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include "molfile_plugin.h"
#include "periodic_table.h"

Go to the source code of this file.

Compounds

struct  mmcifdata

Functions

void * open_mmcif_read (const char *filename, const char *filetype, int *natoms)
int read_mmcif_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int read_mmcif_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void close_mmcif_read (void *mydata)
void * open_mmcif_write (const char *filename, const char *filetype, int natoms)
VMDPLUGIN_API int VMDPLUGIN_init ()
VMDPLUGIN_API int VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)
VMDPLUGIN_API int VMDPLUGIN_fini ()

Variables

molfile_plugin_t mmcifplugin

Function Documentation

void close_mmcif_read (  void *    mydata )  [static]
 

Definition at line 86 of file mmcif.C.

References mmcifdata::file.

void* open_mmcif_read (  const char *    filename,
const char *    filetype,
int *    natoms
)  [static]
 

Definition at line 67 of file mmcif.C.

void* open_mmcif_write (  const char *    filename,
const char *    filetype,
int    natoms
)  [static]
 

Definition at line 93 of file mmcif.C.

References mmcifdata::file, and mmcifdata::numatoms.

int read_mmcif_structure (  void *    mydata,
int *    optflags,
molfile_atom_t *    atoms
)  [static]
 

Definition at line 73 of file mmcif.C.

References MOLFILE_ERROR.

int read_mmcif_timestep (  void *    mydata,
int    natoms,
molfile_timestep_t *    ts
)  [static]
 

Definition at line 79 of file mmcif.C.

References MOLFILE_ERROR.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    ) 
 

Definition at line 145 of file mmcif.C.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    ) 
 

Definition at line 136 of file mmcif.C.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v,
vmdplugin_register_cb    cb
) 
 

Definition at line 140 of file mmcif.C.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

Variable Documentation

molfile_plugin_t mmcifplugin [static]
 

Initial value:

 {
  vmdplugin_ABIVERSION,
  MOLFILE_PLUGIN_TYPE,                         
  "mmcif",                                     
  "mmCIF",                                     
  "John E. Stone",                             
  0,                                           
  1,                                           
  VMDPLUGIN_THREADSAFE,                        
  "cif",                                       
  open_mmcif_read,
  read_mmcif_structure,
  0,
  read_mmcif_timestep,
  close_mmcif_read,
  0,
  0,
  0,
  0,
  0,                            
  0,                            
  0                             
}

Definition at line 112 of file mmcif.C.

Generated on Wed Mar 22 13:15:33 2006 for VMD Plugins (current) by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002