obminimize — optimize the geometry, minimize the energy for a molecule

       The minimize program was contributed by Tim Vandermeersch.

       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 Babel, see <http://openbabel.org/wiki/THANKS>

       Copyright (C) 2007 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 3.1                                    Oct 10, 2019                                     obminimize(1)

       The obminimize tool can be used to minimize the energy for molecules inside (multi-)molecule files (e.g.,
       MOL2, etc.)

       View the possible options, including available forcefields:
             obminimize

       Minimize the energy for the molecule(s) in file test.mol2:
             obminimizetest.mol2

       Minimize the energy for the molecule(s) in file test.mol2 using the Ghemical forcefield:
             obminimize-ffGhemicaltest.mol2

       Minimize  the  energy  for  the molecule(s) in file test.mol2 by taking at most 300 geometry optimization
       steps
             obminimize-n300test.mol2

       Minimize the energy for the molecule(s) in file  test.mol2  using  the  steepest  descent  algorithm  and
       convergence criteria 1e-5:
             obminimize-sd-c1e-5test.mol2

       obminimize — optimize the geometry, minimize the energy for a molecule

       If no filename is given, obminimize will give all options including the available forcefields.

       -nsteps
             Specify the maximum number of steps (default=2500)

       -cg   Use conjugate gradients algorithm (default)

       -sd   Use steepest descent algorithm

       -ccriteria
             Set convergence criteria (default=1e-6)

       -ffforcefield
             Select the forcefield

obabel(1), obenergy(1), obrotamer(1).

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

       The     web     pages     for     Open     Babel     Molecular     Mechanics    can    be    found    at:
       <http://openbabel.org/wiki/Molecular_mechanics>

obminimize [OPTIONS] filename