table of contents
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 formatSYNOPSIS¶
cif_hkl_COD_number --options input1.cif input*.cifDESCRIPTION¶
Parse a CIF file and print out the essential information in the COD CIF formatOPTIONS¶
-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.