NAME

     obconformer — generate conformer coordinates

SYNOPSIS

     obconformer #-of-conformers #-of-optimization-steps filename

DESCRIPTION

     The obconformer tool can be used as part of a conformational study by generating random conformers using a
     Monte Carlo search. The best conformer out of the batch of conformers will be output, after taking the
     supplied number of geometry optimization steps. By default, obconformer uses the MMFF94 force field.

EXAMPLES

           obconformer 250 100 baseconformer.sdf > rotamer1.sdf

     Generate the best conformer (out of 250) of baseconformer.sdf and write it to rotamer1.sdf after 100
     geometry optimization steps

SEE ALSO

     obabel(1), obenergy(1), obfit(1), obgrep(1), obminimize(1), obrotate(1).

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

AUTHORS

     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) 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.