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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 gener- ating 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 obminimize tool can do geome- try optimization using molecular mechanics. ENVIRONMENT OB_RANDOM_SEED Seed for pseudo random number generator; random seed is used if unset or null. This feature is effective if Open Babel is built with -DOB_USE_OBRANDOMMT cpreprocessor flag (will be automatically enabled when version 4 is released). EXAMPLES obrotamer baseconformer.sdf > rotamer1.sdf Generate a random rotational isomer of baseconformer.sdf and write it to rotamer1.sdf SEE ALSO obabel(1), obenergy(1), obfit(1), obgrep(1), obminimize(1), obrotate(1). The web pages for Open Babel can be found at: <https://openbabel.org/> AUTHORS Open Babel is developed by a cast of many, including current maintainers Geoff Hutchison, Chris Morley, Michael Banck, and innumerable others who have contributed fixes and additions. For more contributors to Open Babel, see <https://openbabel.org/docs/Introduction/thanks.html> 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 un- der 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 MERCHANTABILITY or FIT- NESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. Open Babel 3.2 May 26, 2026 OBROTAMER(1)
NAME | SYNOPSIS | DESCRIPTION | ENVIRONMENT | EXAMPLES | SEE ALSO | AUTHORS | COPYRIGHT
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