NAME

       cif_find_duplicates  -  find  COD  numbers for the .cif files in given directories of file
       lists.

SYNOPSIS

       cif_find_duplicates --options my-cif-dir1/ my-cif-dir2/files*.cif COD-cif-dir/

DESCRIPTION

       Find COD numbers for the .cif files in given directories of file lists.

OPTIONS

       -c, --always-continue
                         Continue processing and return successful return status
                         even if errors are diagnosed.

       -c-, --always-die
                         Stop and return error status if errors are diagnosed.

       --max-cell-length-difference 0.5
                         Maximum difference of unit cell lengths allowed for
                         entries regarded as the same, in angstroms
                         (default: 0.5).

       --max-cell-angle-difference 1.2
                         Maximum difference of unit cell angles allowed for
                         entries regarded as the same, in angstroms
                         (default: 1.2).

       --check-bibliography
                         Only CIFs that have different bibliography data are
                         declared different if all other parameters match.
                         CIFs with missing bibliographies are assumed to have
                         matching bibliographies (default).

       --no-check-bibliography, --dont-check-bibliography
                         Ignore bibliographic data of all CIFs; thus even files
                         with different bibliographies will be regarded the same
                         if their cells, chemical formulae and measurement
                         conditions match.

       --use-sigma, --dont-ignore-sigma, --no-ignore-sigma
                         Use standard deviations (sigmas) when comparing unit
                         cell constants (default).

       --no-use-sigma, --dont-use-sigma, --ignore-sigma
                         Ignore standard uncertainties (sigmas) when comparing
                         unit cell constants.

       --check-sample-history
                         Only CIFs that have different sample history data
                         (as recorded in the _exptl_crystal_thermal_history
                         and _exptl_crystal_pressure_history tags) are declared
                         different if all other parameters match.

       --no-check-sample-history,

       --dont-check-sample-history,

       --disregard-sample-history
                         Ignore sample history of all CIFs; thus even files
                         with different sample histories will be regarded the
                         same if their cells, chemical formulae and measurement
                         conditions match (default).

       --use-attached-hydrogens
                         Include the number of implicit hydrogen atoms
                         when calculating the summary chemical formula.
                         Implicit hydrogen atoms are specified using
                         the _atom_site_attached_hydrogens data item.

       --no-use-attached-hydrogens,

       --ignore-attached-hydrogens
                         Ignore the number of implicit hydrogen atoms
                         when calculating the summary chemical formula.
                         Implicit hydrogen atoms are specified using
                         the _atom_site_attached_hydrogens data item
                         (default).

       --continue-on-errors
                         Do not terminate script if errors are raised.

       --die-on-errors, --dont-continue-on-errors,

       --do-not-continue-on-errors, --no-continue-on-errors
                         Terminate script immediately if errors are raised (default).

       --continue-on-warnings
                         Do not terminate script if warnings are raised (default).

       --die-on-warnings
                         Terminate script immediately if warnings are raised.

       --continue-on-notes
                         Do not terminate script if notes are raised (default).

       --die-on-notes
                         Terminate script immediately if notes are raised.

       --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.

REPORTING BUGS

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

                                                                           CIF_FIND_DUPLICATES(1)