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