Hello,
I have added a Postgres-13/RDKit 2021.03-Version to my Chembience Postgres
RDKit project (https://github.com/chembience/docker-postgres-rdkit-compile)
Available Docker images are now
*chembience/postgres-rdkit:postgres-13.rdkit-2021.03 (new)*
Thanks Paolo - I should have found this before posting!
Cheers
James
On 9 May 2021, at 15:05, Paolo Tosco wrote:
Hi James,
IIRC that's a known open issue with the way spirocyclic pseudochiral centers
are handled:
https://github.com/rdkit/rdkit/issues/3490
Cheers,
p.
On Sun, May 9, 2021
Hi James,
IIRC that's a known open issue with the way spirocyclic pseudochiral
centers are handled:
https://github.com/rdkit/rdkit/issues/3490
Cheers,
p.
On Sun, May 9, 2021 at 10:15 AM James Davidson
wrote:
> Dear All,
>
>
>
> I am having some issues with tetrahedral stereochemistry
Dear All,
I am having some issues with tetrahedral stereochemistry perception in RDKit
(2020.09.4) for a certain class of molecule.
Here's an example (rendered using cdk-depict):
[cid:image002.png@01D744AE.E7C7ACA0]
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