obsym - Man Page

detect 3D point group symmetry

Synopsis

obsymfilename

Description

Detects 3D point group symmetry and writes out symmetrized coordinates.

Examples

obsym molecule1.cif > molecule2.cif

Symmetrizes coordinates of molecule1.cif and write it to molecule2.cif

See Also

obgen(1).

The web pages for Open Babel can be found at: <http://openbabel.org/>

Authors

Open Babel is developed by a cast of many, including currrent maintainers Geoff Hutchison, Chris Morley, Michael Banck, and innumerable others who have contributed fixes and additions. For more contributors to Open Babel, see <http://openbabel.org/wiki/THANKS>

Info

October 10, 2019