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pdbdata Struct Reference

List of all members.

Public Attributes
FILE *	fd
int	natoms
char *	original_file
char *	current_file
int	babel_num
int	babel_i
FILE *	fd
int	first_frame
molfile_atom_t *	atomlist
molfile_metadata_t *	meta
int	nconect
int	nbonds
int	maxbnum
int *	from
int *	to
int *	idxmap
char *	pdbstr
char *	pos
molfile_metadata_t *	meta
int *	from

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Member Data Documentation

molfile_atom_t* pdbdata::atomlist

Definition at line 40 of file pdbplugin.c. Referenced by close_file_write, open_file_write, open_pdb_read, write_structure, and write_timestep.

int pdbdata::babel_i

Definition at line 46 of file babelplugin.c. Referenced by open_babel_read, and read_next_timestep.

int pdbdata::babel_num

Definition at line 45 of file babelplugin.c. Referenced by open_babel_read, and read_next_timestep.

char* pdbdata::current_file

Definition at line 44 of file babelplugin.c. Referenced by close_pdb_read, open_babel_read, and read_next_timestep.

FILE* pdbdata::fd

Definition at line 37 of file pdbplugin.c.

FILE* pdbdata::fd

Definition at line 41 of file babelplugin.c. Referenced by close_file_write, close_pdb_read, open_file_write, open_pdb_read, read_next_timestep, read_pdb_structure, and write_timestep.

int pdbdata::first_frame

Definition at line 38 of file pdbplugin.c. Referenced by open_file_write, and write_timestep.

int* pdbdata::from

Definition at line 83 of file webpdbplugin.c.

int* pdbdata::from

Definition at line 44 of file pdbplugin.c. Referenced by open_pdb_read, pdb_read, read_bonds, and read_pdb_structure.

int * pdbdata::idxmap

Definition at line 83 of file webpdbplugin.c. Referenced by close_pdb_read, open_pdb_read, pdb_read, and read_pdb_structure.

int pdbdata::maxbnum

Definition at line 82 of file webpdbplugin.c. Referenced by open_pdb_read, pdb_read, and read_pdb_structure.

molfile_metadata_t* pdbdata::meta

Definition at line 80 of file webpdbplugin.c.

molfile_metadata_t* pdbdata::meta

Definition at line 41 of file pdbplugin.c. Referenced by close_pdb_read, open_pdb_read, pdb_read, and read_molecule_metadata.

int pdbdata::natoms

Definition at line 79 of file webpdbplugin.c. Referenced by open_file_write, open_pdb_read, pdb_read, read_bonds, read_next_timestep, read_pdb_structure, write_structure, and write_timestep.

int pdbdata::nbonds

Definition at line 82 of file webpdbplugin.c. Referenced by open_pdb_read, pdb_read, read_bonds, and read_pdb_structure.

int pdbdata::nconect

Definition at line 81 of file webpdbplugin.c. Referenced by open_pdb_read, pdb_read, and read_bonds.

char* pdbdata::original_file

Definition at line 43 of file babelplugin.c. Referenced by open_babel_read, and read_next_timestep.

char* pdbdata::pdbstr

Definition at line 77 of file webpdbplugin.c. Referenced by close_pdb_read, pdb_read, and read_pdb_structure.

char* pdbdata::pos

Definition at line 78 of file webpdbplugin.c. Referenced by pdb_read, and read_next_timestep.

int * pdbdata::to

Definition at line 83 of file webpdbplugin.c. Referenced by open_pdb_read, pdb_read, read_bonds, and read_pdb_structure.

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The documentation for this struct was generated from the following files:

• babelplugin.c
• pdbplugin.c
• webpdbplugin.c

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