obsym(1) | General Commands Manual (urm) | obsym(1) |
obsym
— detect 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
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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 10, 2019 | Open Babel 3.1 |