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

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.

Open Babel 3.1                                    Oct 10, 2019                                      obrotamer(1)