table of contents
cif_reduce_cell() | cif_reduce_cell() |
NAME¶
cif_reduce_cell - Performs reductions of the unit cell using different algorithms.SYNOPSIS¶
cif_reduce_cell --options input1.cif input*.cifDESCRIPTION¶
Performs reductions of the unit cell using different algorithms.OPTIONS¶
--use-perl-parser Use Perl parser for CIF parsing.--use-c-parser Use Perl & C parser for CIF parsing (default).
-F, --float-format "%15.12f" Specify format to print out floating point numbers.
-C, --cell-format "%15.12f" Specify format to print out floating point numbers for atomic coordinates.
-e, --epsilon 1E-6 Tolerance to compare cell parameter equality in cell reductions.
--debug, --no-debug Turn on/off the debug prints of reduction algorithm. Default off.
--help, --usage Output a short usage message (this message) and exit.
--version Output version information and exit.