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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*.cif

DESCRIPTION

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.

REPORTING BUGS

Report cif_reduce_cell bugs using e-mail: cod-bugs@ibt.lt