table of contents
| cif_sort_atoms() | cif_sort_atoms() |
NAME¶
cif_sort_atoms - Sort atoms in a CIF file in given order.SYNOPSIS¶
cif_sort_atoms --options input1.cif input*.cifDESCRIPTION¶
Sort atoms in a CIF file in given order.OPTIONS¶
-l, --lexicographic Sort by lexicographic order (default).-Z, --atomic-number Sort by atomic number.
-r, --reverse Reverse the ordering.
--use-perl-parser Use Perl parser for CIF parsing.
--use-c-parser Use Perl & C parser for CIF parsing (default).
--help, --usage Output a short usage message (this message) and exit.
--version Output version information and exit.