It had to be approved (non-member post to member-only list). - Noel On 4 April 2011 08:55, Mathias W. <m.we...@uni-bonn.de> wrote: > 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 >
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