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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 gen-
     erating random isomers based on rotating dihedral angles. These rotamers
     are not conformers	-- that	is, obrotamer does not perform geometry	opti-
     mization 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
     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 Ba-
     bel, 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 Li-
     cense for more details.

Open Babel 2.2			 July 4, 2008			Open Babel 2.2

NAME | SYNOPSIS | DESCRIPTION | EXAMPLES | SEE ALSO | AUTHORS | COPYRIGHT

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