obenergy — calculate the energy for a molecule

       The obenergy 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                                       obenergy(1)

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

       View the possible options, including available forcefields:
             obenergy

       Calculate the energy for the molecule(s) in file test.mol2:
             obenergytest.mol2

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

       Calculate the energy for  the  molecule(s)  in  file  test.mol2  and  print  out  all  individual  energy
       interactions:
             obenergy-vtest.mol2

       obenergy — calculate the energy for a molecule

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

       -v    Verbose: print out all individual energy interactions

       -ffforcefield
             Select the forcefield

obabel(1), obminimize(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>

obenergy [OPTIONS] filename