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