table of contents
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*.cifDESCRIPTION¶
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.