cif_bounding_box1
Transform non-crystal cif file (missing cell parameters and symmetry information, cartesian coordinates are given instead of fractional) into a crystal description.
Usage
cif_bounding_box --options
input1.cif
input*.cif
Overview
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 6
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.
Releases
4 releases since Debian 10 (Buster); the text changed 1 time.