NAME

       cif_sort_atoms  -  sort  atoms in a CIF file in given order. Accepts more than one sorting
       criterion.

SYNOPSIS

       cif_sort_atoms --options input1.cif input*.cif

DESCRIPTION

       Sort atoms in a CIF file in given order. Accepts more than one sorting criterion.

OPTIONS

       -l, --lexicographic
                         Sort by lexicographic order (default).

       -Z, --atomic-number
                         Sort by atomic number.

       --ascending-numerical _atom_site_occupancy
                         Sort by values of CIF data item in ascending numerical
                         order.

       --descending-numerical _atom_site_occupancy
                         Sort by values of CIF data item in descending numerical
                         order.

       --ascending-lexical _atom_site_label
                         Sort by values of CIF data item in ascending lexical
                         order.

       --descending-lexical _atom_site_label
                         Sort by values of CIF data item in descending lexical
                         order.

       -r, --reverse
                         Reverse the ordering.

       --order-child-loops
                         Also order loops with data items referencing
                         '_atom_site_label'.

       --no-order-child-loops
                         Preserve the original order of loops with data items
                         referencing '_atom_site_label' (default).

       --record-original-order
                         Record the original atom order.

       --no-record-original-order
                         Do not record the original atom order (default).

       --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.

REPORTING BUGS

       Report cif_sort_atoms bugs using e-mail: cod-bugs@ibt.lt

                                                                                CIF_SORT_ATOMS(1)