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

parm7plugin.C File Reference

#include <string.h>
#include "molfile_plugin.h"
#include "ReadPARM7.h"

Go to the source code of this file.

Compounds

struct  parmdata

Functions

void * open_parm7_read (const char *filename, const char *, int *natoms)
int read_parm7_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int read_parm7_bonds (void *v, int *nbonds, int **fromptr, int **toptr, float **bondorderptr)
void close_parm7_read (void *mydata)
VMDPLUGIN_API int VMDPLUGIN_init ()
VMDPLUGIN_API int VMDPLUGIN_fini ()
VMDPLUGIN_API int VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)

Variables

molfile_plugin_t parm7plugin


Function Documentation

void close_parm7_read void *    mydata [static]
 

Definition at line 121 of file parm7plugin.C.

References close_parm7_file, parmdata::fd, parmdata::from, parmdata::popn, parmdata::prm, and parmdata::to.

void* open_parm7_read const char *    filename,
const char *   ,
int *    natoms
[static]
 

Definition at line 30 of file parm7plugin.C.

References close_parm7_file, parmdata::fd, parmdata::from, parm::Natom, parm::Nbona, parm::Nbonh, open_parm7_file, parmdata::popn, parmdata::prm, read_parm7_header, and parmdata::to.

int read_parm7_bonds void *    v,
int *    nbonds,
int **    fromptr,
int **    toptr,
float **    bondorderptr
[static]
 

Definition at line 112 of file parm7plugin.C.

References parmdata::from, MOLFILE_SUCCESS, parmdata::nbonds, and parmdata::to.

int read_parm7_structure void *    mydata,
int *    optflags,
molfile_atom_t   atoms
[static]
 

Definition at line 54 of file parm7plugin.C.

References molfile_atom_t::chain, parmdata::fd, parmdata::from, MOLFILE_CHARGE, MOLFILE_MASS, MOLFILE_SUCCESS, parm::Natom, parm::Nbona, parmdata::nbonds, parm::Nbonh, parm::Nres, parse_parm7_atoms, parse_parm7_atype, parse_parm7_bonds, parse_parm7_charge, parse_parm7_mass, parse_parm7_resnames, parse_parm7_respointers, parmdata::prm, molfile_atom_t::segid, and parmdata::to.

VMDPLUGIN_API int VMDPLUGIN_fini void   
 

Definition at line 158 of file parm7plugin.C.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init void   
 

Definition at line 155 of file parm7plugin.C.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register void *    v,
vmdplugin_register_cb    cb
 

Definition at line 161 of file parm7plugin.C.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.


Variable Documentation

molfile_plugin_t parm7plugin [static]
 

Initial value:

 {
  vmdplugin_ABIVERSION,          
  MOLFILE_PLUGIN_TYPE,           
  "parm7",                       
  "AMBER7 Parm",                 
  "Brian Bennion, Justin Gullingsrud, John E. Stone", 
  0,                             
  7,                             
  VMDPLUGIN_THREADUNSAFE,        
  "prmtop,parm7",                
  open_parm7_read,        
  read_parm7_structure,  
  read_parm7_bonds,
  0,                             
  close_parm7_read,     
  0,
  0,
  0,
  0,
}

Definition at line 134 of file parm7plugin.C.


Generated on Wed Mar 22 13:15:34 2006 for VMD Plugins (current) by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002