NAME

     obgen — generate 3D coordinates for a molecule

SYNOPSIS

     obgen [OPTIONS] filename

DESCRIPTION

     The obgen tool will generate 3D coordinates for molecules in a file (e.g. multi-molecule
     SMILES files). The resulting structure will be optimized using the given forcefield and
     checked for the lowest-energy conformer using a Monte Carlo search.  Output will be sent to
     standard output in the SDF file format.

OPTIONS

     If no filename is given, obgen will give all options including the available forcefields.

     -ff forcefield
           Select the forcefield

EXAMPLES

     View the possible options, including available forcefields:
           obgen

     Generate 3D coordinates for the molecule(s) in file test.smi:
           obgen test.smi

     Generate 3D coordinates for the molecule(s) in file test.smi using the UFF forcefield:
           obgen -ff UFF test.smi

SEE ALSO

     babel(1), obminimize(1), obconformer(1).

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

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

AUTHORS

     The obgen program was contributed by Tim Vandermeersch.

     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

     Copyright (C) 2007-2008 by Tim Vandermeersch.

      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.