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cif_bounding_box() cif_bounding_box()

NAME

cif_bounding_box - Transform non-crystal CIF file (missing cell parameters and symmetry information, Cartesian coordinates are given instead of fractional) into a crystal description.

SYNOPSIS

cif_bounding_box --options input1.cif input*.cif

DESCRIPTION

Transform non-crystal CIF file (missing cell parameters and symmetry information, Cartesian coordinates are given instead of fractional) into a crystal description.

OPTIONS

--margin-x, --margin-y, --margin-z Set margins in x, y and z directions (default 5 angstroms)

--use-perl-parser Use Perl parser for CIF parsing.

--use-c-parser Use Perl & C parser for CIF parsing (default).

--help, --usage Output a short usage message (this message) and exit.

--version Output version information and exit.

REPORTING BUGS

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