OBGEN(1)                 General Commands Manual (urm)                OBGEN(1)

نام (NAME)
     obgen – generate 3D coordinates for a molecule

خلاصه دستور (SYNOPSIS)
     obgen [OPTIONS] filename

توضیحات (DESCRIPTION)
     The obgen tool will generate 3D coordinates for molecules in a file (e.g.
     multi-molecule SMILES files).  The resulting structure will be optimized
     using the given forcefield and checked for the lowest-energy conformer
     using a Monte Carlo search.  Output will be sent to standard output in
     the SDF file format.

گزینه‌ها (OPTIONS)
     If no filename is given, obgen will give all options including the
     available forcefields.

     -ff forcefield
           Select the forcefield

محیط (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).

مثال‌ها (EXAMPLES)
     View the possible options, including available forcefields:
           obgen

     Generate 3D coordinates for the molecule(s) in file test.smi:
           obgen test.smi

     Generate 3D coordinates for the molecule(s) in file test.smi using the
     UFF forcefield:
           obgen -ff UFF test.smi

همچنین ببینید (SEE ALSO)
     obabel(1), obconformer(1), obminimize(1).

     The web pages for Open Babel can be found at: <https://openbabel.org/>

     The web pages for Open Babel Molecular Mechanics can be found at:
     <https://openbabel.org/docs/Forcefields/Overview.html>

نویسندگان (AUTHORS)
     The obgen program was contributed by Tim Vandermeersch.

     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>

حق نشر (COPYRIGHT)
     Copyright (C) 2007-2008 by Tim Vandermeersch.

     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
     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General
     Public License for more details.

Open Babel 3.2                   May 26, 2026                   Open Babel 3.2