I think I'm using 3.1, but can't be totally sure.
How do you ask this from python? I can't see any obvious way.
Tim
On Tue, Oct 19, 2021 at 7:22 PM Geoffrey Hutchison <
geoff.hutchi...@gmail.com> wrote:
> > I'm having problems when generating 3D molecules using the Python
> bindings.
> > This may be a result of the molecule containing charges, but I'm not
> certain about this.
>
> I haven't seen that problem (interlocking rings) in a long time. Are you
> sure your Python bindings are using OB 3.1?
>
> You can also try something like this:
>
> gen3d = openbabel.OBOp.FindType("gen3D")
> gen3d.Do(mymol.OBMol, "--best")
>
> -Geoff
>
>
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