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
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