#include <tcl.h>
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include "molfile_plugin.h"
#include "readpdb.h"
#include "periodic_table.h"
Go to the source code of this file.
Compounds | |
struct | pdbdata |
Functions | |
int | my_read_pdb_record (const char *pdb, char **pos) |
void * | pdb_read (char *pdbstr, int *natoms) |
void * | open_file_read (const char *filename, const char *filetype, int *natoms) |
int | read_pdb_structure (void *mydata, int *optflags, molfile_atom_t *atoms) |
int | read_bonds (void *v, int *nbonds, int **fromptr, int **toptr, float **bondorder) |
int | read_next_timestep (void *v, int natoms, molfile_timestep_t *ts) |
void | close_pdb_read (void *v) |
int | read_molecule_metadata (void *v, molfile_metadata_t **metadata) |
VMDPLUGIN_API int | VMDPLUGIN_init () |
VMDPLUGIN_API int | VMDPLUGIN_register (void *v, vmdplugin_register_cb cb) |
VMDPLUGIN_API int | VMDPLUGIN_fini () |
Variables | |
const char * | rcsbmsg [] |
int | show_msg = 1 |
molfile_plugin_t | plugin |
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Definition at line 383 of file webpdbplugin.c. References pdbdata::idxmap, pdbdata::meta, pdbdata::pdbstr, and molfile_metadata_t::remarks. |
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Definition at line 37 of file webpdbplugin.c. References PDB_ATOM, PDB_CRYST1, PDB_END, PDB_EOF, PDB_HEADER, PDB_REMARK, and PDB_UNKNOWN. Referenced by pdb_read, read_next_timestep, and read_pdb_structure. |
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Definition at line 162 of file webpdbplugin.c. |
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Definition at line 87 of file webpdbplugin.c. References molfile_metadata_t::accession, molfile_metadata_t::database, molfile_metadata_t::date, pdbdata::from, get_pdb_header, pdbdata::idxmap, pdbdata::maxbnum, pdbdata::meta, my_read_pdb_record, pdbdata::natoms, pdbdata::nbonds, pdbdata::nconect, PDB_ATOM, PDB_CONECT, PDB_END, PDB_EOF, PDB_HEADER, PDB_REMARK, PDB_UNKNOWN, pdbdata::pdbstr, pdbdata::pos, molfile_metadata_t::remarklen, molfile_metadata_t::remarks, and pdbdata::to. Referenced by open_file_read. |
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Definition at line 307 of file webpdbplugin.c. References pdbdata::from, MOLFILE_SUCCESS, pdbdata::natoms, pdbdata::nbonds, pdbdata::nconect, and pdbdata::to. |
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Definition at line 397 of file webpdbplugin.c. References pdbdata::meta, and MOLFILE_SUCCESS. |
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Definition at line 340 of file webpdbplugin.c. References molfile_timestep_t::A, molfile_timestep_t::alpha, molfile_timestep_t::B, molfile_timestep_t::beta, molfile_timestep_t::C, molfile_timestep_t::coords, molfile_timestep_t::gamma, get_pdb_coordinates, get_pdb_cryst1, MOLFILE_ERROR, MOLFILE_SUCCESS, my_read_pdb_record, pdbdata::natoms, PDB_ATOM, PDB_CRYST1, PDB_END, PDB_EOF, and pdbdata::pos. |
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Definition at line 441 of file webpdbplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 432 of file webpdbplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 436 of file webpdbplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS. |
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Initial value: { vmdplugin_ABIVERSION, MOLFILE_PLUGIN_TYPE, "webpdb", "Web PDB Download", "Justin Gullingsrud, John Stone", 1, 10, VMDPLUGIN_THREADSAFE, "", open_file_read, read_pdb_structure, read_bonds, read_next_timestep, close_pdb_read, 0, 0, 0, 0, 0, 0, 0, read_molecule_metadata } Definition at line 407 of file webpdbplugin.c. |
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Initial value: { " The PDB is supported by RCSB, the NSF, US PHS, NIH, NCRP, NIGMS, NLM,", "and US DoE, who are not liable for the data. PDB files shall not be", "sold. See ftp://ftp.rcsb.org/advisory.doc for full details." } Definition at line 154 of file webpdbplugin.c. Referenced by open_file_read. |
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Definition at line 160 of file webpdbplugin.c. Referenced by open_file_read. |