Control: tags -1 + moreinfo Hi David,
On Thu, 25 Jul 2024 12:05:55 -0500 David Lounsbrough <david.lounsbro...@gmail.com> wrote:
To reproduce, I simply ran this Dockerfile: FROM postgres:16 AS postgres-env RUN apt-get update && \ apt-get install -yq postgresql-16-rdkit && \ apt-get clean Then when I try to build an inchi, rdkit give me an error saying inchi is not available. Example: `SELECT mol_inchi('CC'::mol)` --> `InChI not available`
rdkit >= 202309.3-5 is now built with InChI support. Can you check if it works for you? Alternatively, could you please list precise command line instructions that you have issued? I do not use PostgreSQL that much.
Best wishes, Andrius