obdistgen — generate rough 3D coordinates for SMILES (or other 0D files)
Contents
Copyright
Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
Some portions Copyright (C) 2001-2007 by Geoffrey R. Hutchison and other contributors.
This program is free software; you can redistribute it and/or modify it under the terms of the GNU
General Public License as published by the Free Software Foundation version 2 of the License.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even
the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public
License for more details.
Open Babel 3.1 Oct 10, 2019 obdistgen(1)
Description
Generates SDFs with distance geometry.
Examples
obdistgenmolecule.smi>molecule.sdf
Generate rough 3D coordinates for molecule.smi and write it to molecule.sdf
Name
obdistgen — generate rough 3D coordinates for SMILES (or other 0D files)
See Also
obgen(1). The web pages for Open Babel can be found at: <http://openbabel.org/>
Synopsis
obdistgenfilename
