There seem to be some discrepancies in Open Babel's implementation of UFF
for molecules containing phenyl groups. Namely, when obminimize is used to
find the minimum energy structure of biphenyl, it fails to reproduce the
dihedral angle between the two rings as reported by Casewit et. al in
"Applic
I have encountered this error in Linux when my environment variables are
not set up correctly. Perhaps you could check to make sure the environment
variables have been set up properly?
On Mon, Oct 12, 2015 at 9:45 AM, Nathan Pimental
wrote:
> Are you capable of updating to OB 4.3.4? I have notic
