cif_fix_AMCSD_atom_labels1
Read the cif file, assuming that it follows amcsd atom naming conventions, and correct duplicated _atom_site_label and _atom_site_aniso_label values.
Usage
cif_fix_AMCSD_atom_labels --options
input1.cif
input*.cif
Overview
Read the CIF file, assuming that it follows AMCSD atom naming conventions, and correct duplicated _atom_site_label and _atom_site_aniso_label values.
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.