NAME¶

SYNOPSIS¶

DESCRIPTION¶

OPTIONS¶

-d, --database cod Use database "cod" to query for structures.

-h, --host www.crystallography.net

-s, --server www.crystallography.net Query COD database on the host 'www.crystallography.net'.

-l, --localhost Use database server on the localhost to query the COD database.

-p, --port 3306 Use use the specified port (default 3306) to query structures.

-t, --table data Use SQL table "data" to query for structures.

-u, --user cod_reader Use user name "cod_reader" to access COD database; this reader should be granted SELECT privilege, i.e. should be able to read the COD database without supplying a password.

--password Use the specified password (default empty) to connect.

-P, --print-datablock-name Print data block name as the fifth column.

-P-, --dont-print-datablock-name, --no-print-datablock-name Do not print data block names (default).

-S, --series 9 Check only COD entries starting with 9 (so called 9* series). Default: check the whole COD database. Set series to "" (empty string) to restore the default behaviour.

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

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

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

--dont-check-bibliography, --no-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.

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

--dont-ignore-sigma, --no-ignore-sigma, --use-sigma Use standard deviations (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.

--dont-check-sample-history, --no-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).

--check-compound-source Only CIFs that have different compound source (as recorded in the _chemical_compound_source) are declared different if all other parameters match.

--dont-check-compound-source, --no-check-compound-source,

--disregard-compound-source Ignore compound source of all CIFs; thus even files with different compound sources will be regarded the same if other conditions match (default).

--use-perl-parser Use the Perl-only CIF parser.

--use-c-parser Use the speed-optimised C/Perl parser (default).

--cif-input Use CIF format for input (default).

--json-input Use JSON format for input.

--help, --usage Output a short usage message (this message) and exit.

--version Output version information and exit.

REPORTING BUGS¶