|obdistgen(1)||General Commands Manual (urm)||obdistgen(1)|
generate rough 3D coordinates for SMILES (or other 0D
Generates SDFs with distance geometry.
obdistgen molecule.smi > molecule.sdf
Generate rough 3D coordinates for molecule.smi and write it to molecule.sdf
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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|