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Talend Open Studio 3.0.3 (Default branch)
02-02-2009
Talend Open Studio is an ETL (Extract, Transform, and Load) tool. Talend Open Studio can perform jobs that range from datawarehouse feeding to database synchronization, as well as file format transformations. Its graphical interface is made with Eclipse RCP, and data related scripts are generated in Perl or Java. The application was designed to be extended with components written by users. |
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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 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