NAME

     obrotamer — generate conformer/rotamer coordinates

SYNOPSIS

     obrotamer filename

DESCRIPTION

     The obrotamer tool can be used as part of a conformational search by generating random
     isomers based on rotating dihedral angles. These rotamers are not conformers -- that is,
     obrotamer does not perform geometry optimization after generating the rotamer structure. The
     obminimize tool can do geometry optimization using molecular mechanics.

EXAMPLES

           obrotamer baseconformer.sdf > rotamer1.sdf

     Generate a random rotational isomer of baseconformer.sdf and write it to rotamer1.sdf

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) 2001-2007 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.