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cif_hkl_COD_number() cif_hkl_COD_number()

NAME

cif_hkl_COD_number - Parse a CIF file and print out the essential information in the COD CIF format

SYNOPSIS

cif_hkl_COD_number --options input1.cif input*.cif

DESCRIPTION

Parse a CIF file and print out the essential information in the COD CIF format

OPTIONS

-h, --add-cif-header header_file.cif Prepend each of the output files with the comments from the beginning of the specified file.

--exclude-empty-tags Remove tags that contain only empty values. A value is considered empty if it equal to a single question mark ('?') or a single period ('.').

--dont-exclude-empty-tags, --no-exclude-empty-tags Disable the '--exclude-empty-tags' option (default).

-x, --extra-tag-list tag-list.lst Add additional tags to the list of recognised CIF tags. These extra tags are presented in a separate file, one tag per line.

--exclude-misspelled-tags Remove tags that were not present in the recognised tag list.

--dont-exclude-misspelled-tags,

--no-exclude-misspelled-tags Disable the '--exclude-misspelled-tags' option.

--preserve-loop-order Print loops in the same order they appeared in the original file.

--use-internal-loop-order Disregard original loop order while printing the tags (default).

--original-filename data_source.cif Use the provided string as the name of the original file. (see --record-original-filename).

--clear-original-filename Do not use any previously provided strings as the name of the original file.

--record-original-filename Record the original filename and the original data block name for each data block as the '_cod_data_source_*' tag values.

--dont-record-original-filename Do not record the original filename and the original data block name (default).

-S, --start-data-block-number 1234567 Use the provided number as the start number when renaming data blocks (default '7000001') Setting this option enables the '-R' option.

-d, --data-block-format '%07d' Use the provided format to determine new data block names from the provided data block numbers (default '%07d').

-R, --renumber-data-blocks Rename all data blocks. The new names are constructed by taking a start number (specified by the '-S' option), applying the string format (specified by the '-d' option) and then incrementing the start number for each sequential data block.

-R-, --dont-renumber-data-blocks Do not rename data blocks (default). Enabling this option sets the '-S' option to default value.

--folding-width 76 Specify the length of the longest unfolded line.

--fold-title

--dont-fold-title Folds the title, if longer than folding width. Default: off.

--fold-long-fields

--dont-fold-long-fields Fold fields, longer than folding width. Default: off.

--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_hkl_COD_number bugs using e-mail: cod-bugs@ibt.lt