NAME¶

cif_eval_numbers - read a CIF file and convert those number values that are written as simple fractions (e.g. "1/4") into a single floating point number.

SYNOPSIS¶

cif_eval_numbers --options input1.cif input*.cif

DESCRIPTION¶

Read a CIF file and convert those number values that are written as simple fractions (e.g. "1/4") into a single floating point number.

OPTIONS¶

-d, --dictionary cif_core.dic
Use the specified DDL1 dictionary for determining which
values are numeric.

-t, --tags-to-fix _tag_1,_tag_2,_tag_3
Specify an explicit list of tags that should be
evaluated as numeric, without relying on a
dictionary.

--fix-syntax-errors
Try to fix those syntax errors in input CIFs that can
be corrected unambiguously.

--no-fix-syntax-errors,

--dont-fix-syntax-errors
Do not try to fix syntax errors in input CIFs (default).

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

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

--debug
Enable debug messages.

--no-debug
Disable debug messages (default).

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

--version
Output version information and exit.

REPORTING BUGS¶

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