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tinkerplugin.c File Reference

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

Go to the source code of this file.

Compounds
struct	tinkerdata
Functions
void *	open_tinker_read (const char *filename, const char *filetype, int *natoms)
int	read_tinker_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int	read_tinker_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void	close_tinker_read (void *mydata)
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	tinkerplugin

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Function Documentation

void close_tinker_read (  void *    mydata )  [static]

Definition at line 144 of file tinkerplugin.c. References tinkerdata::file, and tinkerdata::file_name.

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

Definition at line 47 of file tinkerplugin.c. References tinkerdata::file, tinkerdata::file_name, and tinkerdata::numatoms.

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

Definition at line 73 of file tinkerplugin.c. References molfile_atom_t::chain, tinkerdata::file, tinkerdata::file_name, MOLFILE_ERROR, MOLFILE_SUCCESS, molfile_atom_t::name, tinkerdata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type.

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

Definition at line 107 of file tinkerplugin.c. References molfile_timestep_t::coords, tinkerdata::file, tinkerdata::file_name, MOLFILE_ERROR, and MOLFILE_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 185 of file tinkerplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 176 of file tinkerplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 180 of file tinkerplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

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Variable Documentation

molfile_plugin_t tinkerplugin [static]

Initial value: { vmdplugin_ABIVERSION, MOLFILE_PLUGIN_TYPE, "tinker", "Tinker", "John E. Stone", 0, 3, VMDPLUGIN_THREADSAFE, "arc", open_tinker_read, read_tinker_structure, 0, read_tinker_timestep, close_tinker_read, 0, 0, 0, 0, 0, 0, 0 } Definition at line 152 of file tinkerplugin.c.

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