Provided by: openbabel_3.1.1+dfsg-11ubuntu4_amd64 bug

NAME

       obconformer — generate conformer coordinates

SYNOPSIS

       obconformer #-of-conformers #-of-optimization-steps filename [forcefield]

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.

Open Babel 3.1                                    Oct 10, 2019                                    obconformer(1)