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
