cif_polymer_multiplicity1
Parse cif file and print out multiplicity and dimensionality per each molecule. requires topocif data items for representation of labeled quotient graphs: _topol_net.id, _topol_atom.atom_label, _topol_atom.node_id, _topol_link.node_id_1, _topol_link.node_id_2, _topol_link.translation_2_x, _topol_link.translation_2_y, _topol_link.translation_2_z.
Usage
cif_polymer_multiplicity [options]
input.cif
[input2.cif ...]
Overview
Parse CIF file and print out multiplicity and dimensionality per each molecule. Requires TOPOCIF data items for representation of labeled quotient graphs: _topol_net.id, _topol_atom.atom_label, _topol_atom.node_id, _topol_link.node_id_1, _topol_link.node_id_2, _topol_link.translation_2_x, _topol_link.translation_2_y, _topol_link.translation_2_z.
Options
--debug
Print some human-readable debug output.
--use-c-parser
Use Perl & C parser for CIF parsing (default).
--use-perl-parser
Use Perl parser for CIF parsing.
--help, --usage
Output a short usage message (this message) and exit.
--version
Output version information and exit.