rwmodel_cif.cpp File Reference

Library routines to read and write molecule files in CIF format. More...

#include "star.h"
#include "rwmolecule.h"
#include "rwmodel_cif.h"
#include "mol_tags.h"
#include "linked_list.h"
#include "utilities.h"

Functions
Bmodel *	read_model_cif (Bstring &filename, Bstring &paramfile)
	Reads a molecule group from a CIF format file. More...
long	write_model_cif (Bstring &filename, Bmodel *model)
	Writes a molecule group to a CIF format file. More...

Variables
int	verbose

Detailed Description

Library routines to read and write molecule files in CIF format.

Author

Bernard Heymann

Date

Created: 19980822

Modified: 20220208

Function Documentation

read_model_cif()

Bmodel * read_model_cif	(	Bstring &	filename,
		Bstring &	paramfile
	)

Reads a molecule group from a CIF format file.

Parameters

&filename	the file name.
&paramfile	parameter file.

Returns

long number of molecules read (<0 if reading failed).

write_model_cif()

long write_model_cif	(	Bstring &	filename,
		Bmodel *	model
	)

Writes a molecule group to a CIF format file.

Parameters

&filename	the file name.
*model	the model.

Returns

long number of molecules written (<0 if writing failed).

Variable Documentation

verbose

int verbose

extern