Provided by: openbabel_2.3.2+dfsg-2.2build1_amd64 bug

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.

Open Babel 2.2                                    July 4, 2008                                          obgen(1)