NAME¶

cif_estimate_Z - calculate Z value (i.e. the number of "chemical fomula units" in the unit cell) using the provided cell volume, crystal density and molecular weight.

SYNOPSIS¶

cif_estimate_Z --options input1.cif input*.cif

DESCRIPTION¶

Calculate Z value (i.e. the number of "chemical fomula units" in the unit cell) using the provided cell volume, crystal density and molecular weight.

OPTIONS¶

--use-perl-parser
Use development CIF parser written in Perl.

--use-c-parser
Use faster C/Yacc CIF parser (default).

--help, --usage
Output a short usage message (this message) and exit.

--version
Output version information and exit.

REPORTING BUGS¶

Report cif_estimate_Z bugs using e-mail: cod-bugs@ibt.lt