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

NAME
     obconformer -- generate conformer coordinates

SYNOPSIS
     obconformer # of conformers # of optimization steps filename

DESCRIPTION
     The obconformer tool can be used as part of a conformational study	by
     generating	random conformers using	a Monte	Carlo search. The best con-
     former 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
     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) 2001-2008 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	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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