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Babel Router 0.90 (Default branch)
10-23-2008
Babel is a distance-vector routing protocol for IPv6 and IPv4. It is designed to be robust and work efficiently on both wired networks and wireless mesh networks. License: MIT/X Consortium License Changes:|
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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, obcon- former 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 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) 2001-2008 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 License for more details. Open Babel 2.2 July 4, 2008 Open Babel 2.2