table of contents
cif_create_AMCSD_pressure_temp_tags() | cif_create_AMCSD_pressure_temp_tags() |
NAME¶
cif_create_AMCSD_pressure_temp_tags - Parse a CIF file, determine pressure and temperature tag values from the values of other tags. Designed for CIFs from AMCSD.SYNOPSIS¶
cif_create_AMCSD_pressure_temp_tags --options input1.cif input*.cifDESCRIPTION¶
Parse a CIF file, determine pressure and temperature tag values from the values of other tags. Designed for CIFs from AMCSD.OPTIONS¶
--keep-tag-order Keep the original tag order in CIF file (default).--sort-tags Reorder tags in CIF file according to COD.
--use-perl-parser Use Perl parser to parse CIF files.
--use-c-parser Use C parser to parse CIF files (default).
--help, --usage Output a short usage message (this message) and exit.
--version Output version information and exit.