cif_automorphism1

Usage

Overview

Find automorphism orbits in CIF files.

Options

--ignore-hydrogens
Do not consider hydrogen atoms in automorphism
detection.

--no-ignore-hydrogens
Take hydrogen atoms into consideration when searching
for automorphisms (default).

--print-atom-site-type-symbol
Output assumed atom chemical types as values of
'_atom_site_type_symbol', if this data item is not
used.

--no-print-atom-site-type-symbol
Do not output assumed atom chemical types as values
of '_atom_site_type_symbol' (default).

--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.