Hello,
So to preface this, I am fairly new to how all this works so more
comprehensive answers would be helpful. I am trying to run a specific
script for research which requires openbabel to run, however whenever I
attempt to import pybel there are errors that occur and I do not know how
to address
> Is there a way to "freeze" some dihedral angles so they are not rotated when
> generating conformers? Or, just as good, a way to specify which dihedrals to
> rotate?
Not from the automated conformer routines at the moment (although it could be
done with some coding).
If you want to scan dihe
