I have the same on Win7. It looks like obenergy has suffered bit rot. We have been trying to replace these executables with equivalent options to obabel. See the section in the OB docs about adding a new op (operation).
- Noel On 11 April 2011 06:32, Mathias W. <m.we...@uni-bonn.de> wrote: > Hello All, > > Sorry when I'm duplicating this request, but I need to know if this is > an installation error on my side or maybe it is the intended > behaviour. > Can anybody please have a look at his/her openbabel-2.3.0 installation > and tell me, what obenergy says about forcefields? > > here is my original mail: > > I compiled openbabel-2.3.0 according to > http://openbabel.org/docs/2.3.0/Installation/install.html and > installed it on a recent Ubuntu system. > The command "babel -L forcefields" gives me: > > Gaff Gaff force field. > Ghemical Ghemical force field. > MMFF94 MMFF94 force field. > MMFF94s MMFF94s force field. > UFF Universal Force Field. > > As far as for the old version (2.2.3) the command obenergy also lists > these forcefields: > ----------------------------------------------------- > Usage: obenergy [options] <filename> > > options: description: > > -v verbose: print out indivual energy interactions > > -h add hydrogens before calculating energy > > -ff ffid select a forcefield > > available forcefields: > > Ghemical Ghemical force field. > MMFF94 MMFF94 force field. > MMFF94s MMFF94s force field. > UFF Universal Force Field. > ------------------------------------------------- > > but the with openbabel-2.3.0 obenergy gives: > -------------------------------------------------- > ... > available forcefields: > > forcefields is not a recognized plugin type. Those with instances of > sub-types loaded are: > -------------------------------------------------- > > I checked with the openbabel-2.3.0 package on Gentoo (python and perl > enabled) and I have the same problem there with a presumably correct > installed version of openbabel... > BABEL_DATADIR (and LIBDIR) environment variables don't have any effect on > this. > > -- > M. Weigt > > ------------------------------------------------------------------------------ > Xperia(TM) PLAY > It's a major breakthrough. An authentic gaming > smartphone on the nation's most reliable network. > And it wants your games. > http://p.sf.net/sfu/verizon-sfdev > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ Xperia(TM) PLAY It's a major breakthrough. An authentic gaming smartphone on the nation's most reliable network. And it wants your games. http://p.sf.net/sfu/verizon-sfdev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
