The easiest way to get the version would be this:
from openbabel import openbabel as ob
print(ob.OBReleaseVersion())
On 10/22/21 06:46, Tim Dudgeon wrote:
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
<mailto: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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