obrotamer(1)						      User's Reference Manual						      obrotamer(1)

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 obmini-
     mize 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

     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 oth-
     ers 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 MERCHANTABIL-
     ITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

Open Babel 2.2							   July 4, 2008 						    Open Babel 2.2