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

     babel(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.