NAME¶

SYNOPSIS¶

DESCRIPTION¶

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.

-h, --print-header Print header with data column names at the first line With this option cif2cod uses the new field list for the output file.

-h-, --dont-print-header, --no-print-header Do not print column names on the first (header) line (default).

-k, --keywords Print values in separate lines prefixed with keywords.

--include-keywords-with-undefined-values Print the keyword line with an empty value if the value is undefined.

--exclude-keywords-with-undefined-values Do not print the keyword line at all if the value is undefined (default).

--use-attached-hydrogens Include number of implicit hydrogens, specified using _atom_site_attached_hydrogens tag, into the formula sum.

--dont-use-attached-hydrogens,

--no-use-attached-hydrogens,

--ignore-attached-hydrogens Ignore number of implicit hydrogens, specified using _atom_site_attached_hydrogens tag, in calculation of the formula sum. Default option.

--reformat-space-group Correct the formatting of Hermann-Mauguin symmetry space group symbol.

--dont-reformat-space-group,

--leave-space-group Do not correct the formatting of Hermann-Mauguin symmetry space group.

--use-datablocks-without-coordinates Do not filter out data blocks without coordinates.

--do-not-use-datablocks-without-coordinates, --use-all-datablocks

--dont-use-datablocks-without-coordinates

--no-use-datablocks-without-coordinates

--skip-datablocks-without-coordinates Filter out data blocks without coordinates (default).

--require-only-doi Do not require all bibliographic details (authors, journal name, title, year, volume and first page of the publication) to be present if publication DOI is specified.

--require-full-bibliography Require author names, journal name, volume, publication title, year and first page to be present (default).

--columns file,flags,Robs

--columns "file flags Robs" Print only columns specified in this option.

--validate-by-schema doc/CODDictionary.xml Validate the output by supplied XML schema, where the SQL data types are given in the following manner:

<CODDictionary> <CODParameter name="file"> <SQLDataType>mediumint(7) unsigned</SQLDataType> ... </CODParameter> </CODDictionary>

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

--dont-continue-on-errors, --no-continue-on-errors,

--exit-on-errors, --do-not-continue-on-errors, --die-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 the Perl parser for parsing CIFs.

--use-c-parser Use the faster C parser for CIFs (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¶