DOKK / manpages / debian 10 / openbabel / obsym.1.en
obsym(1) General Commands Manual (urm) obsym(1)

obsymdetect 3D point group symmetry

obsym filename

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

obsym molecule1.cif >molecule2.cif

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

obgen(1).

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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>

Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2007 by Geoffrey R. Hutchison and other contributors.


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October 26, 2017 Open Babel 2.4.1