Hi Joanna,
could you please provide some context and paste your failing code? You seem
to be referring to an e-mail thread that I can't find.
Thanks, cheers
p.
On Sat, Aug 22, 2020 at 1:56 PM ITS RDC wrote:
> Dear all/Greg,
>
> The conformation generation worked when I used the
>
Dear all/Greg,
The conformation generation worked when I used the AllChem.EmbedMultipleConfs
ETKDG. But when I tried using AllChem.MMFFOptimizeMoleculeConfs () and
AllChem.MMFFOptimize but it always gives the following output:
ValueError: Bad Conformer Id
I only followed the manual.
Your
2 matches
Mail list logo
