table of contents
- buster 2.3+dfsg-3
cod_predeposition_check() | cod_predeposition_check() |
NAME¶
cod_predeposition_check - Filter and check pairs of CIF and Fobs files for suitability for deposition to COD database.SYNOPSIS¶
cod_predeposition_check --options input.cif input*.cifDESCRIPTION¶
Filter and check pairs of CIF and Fobs files for suitability for deposition to COD database.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.
--platform 'SQLite' Use the SQL database platform 'SQLite' to query structures (default 'mysql').
--cif input1.cif Specify a CIF file to be deposited. Multiple CIF files can be provided in a way like this: cod_predeposition_check --cif input1.cif --cif input2.cif
--hkl, --fobs input1.hkl Specify a Fobs file to be deposited. Multiple Fobs files can be provided in way like this: cod_predeposition_check --hkl input1.hkl --hkl input2.hkl The order of the files is important in order to pair CIF and Fobs files correctly.
--type, --deposition-type 'prepublication' Specify the deposition type under which the structure is to be deposited (default 'published').
--author-name 'Doe, J.' Use the specified name as the name of the person depositing the files.
--journal 'The Journal' Use the specified journal name as if it was supplied by the depositor during the 'prepublication' type deposition.
--hold-period 3 Use the specified hold period as if it was supplied by the depositor.
--replace Treat given files as replacements for previously deposited data.
--no-replace, --dont-replace Do not treat given files as replacements for previously deposited data (default).
--release Treat given files as if they were previously deposited as prepublication material and should now be released into the public domain.
--no-release, --dont-release Do not treat given files as if they were previously deposited as prepublication material and should now be released into the public domain (default).
--bypass-checks Do not check CIF files for compliance with COD requirements.
--dont-bypass-checks, --no-bypass-checks Check CIF files for compliance with COD requirements (default).
--split-pdcif Output powder diffraction data blocks as a HKL file.
--dont-split-pdcif, --no-split-pdcif Output powder diffraction data blocks as part of the CIF file (default).
--print-timestamps Print timestamps to STDOUT at the start and end of each CIF file deposition.
--no-print-timestamps, --dont-print-timestamps Do not print timestamps to STDOUT at the start and end of each CIF file deposition (default)
--tmp-dir, --temp-dir Use the specified temporary directory (default './').
--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.