#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 |
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Definition at line 86 of file mmcif.C. References mmcifdata::file. |
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Definition at line 93 of file mmcif.C. References mmcifdata::file, and mmcifdata::numatoms. |
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Definition at line 73 of file mmcif.C. References MOLFILE_ERROR. |
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Definition at line 79 of file mmcif.C. References MOLFILE_ERROR. |
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Definition at line 145 of file mmcif.C. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 136 of file mmcif.C. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 140 of file mmcif.C. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS. |
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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 } |