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

obtautomer — enumerate tautomer SMILES and canonical tautomer SMILES

obtautomer [-c] filename

Enumerates tautomer SMILES and canonical tautomer SMILES.

obtautomer molecule.smi >tautomers.smi

Enumerates tautomers for molecule.smi and writes them to tautomers.smi

babel(1),

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

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) 2001-2008 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.

October 26, 2017 Open Babel 2.2