Because this mail I sent 2 days ago didn't came back to (but it is in the mailing-list archive) I send it again.
Can anybody confirm this? 2011/4/2 Mathias W. <m.we...@uni-bonn.de>: > Hello All, > > 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 > -- M. Weigt ------------------------------------------------------------------------------ Create and publish websites with WebMatrix Use the most popular FREE web apps or write code yourself; WebMatrix provides all the features you need to develop and publish your website. http://p.sf.net/sfu/ms-webmatrix-sf _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
