Saturday, April 25, 2020

It looks like pgchem::tigress just got a major upgrade

With the Release of PostgreSQL 12.x and OpenBabel 3.x, I decided to see if pgchem::tigress would still compile. Well, it took some minor changes, but YES, it does!

And - it seems like OpenBabel now handles E/Z and enantiomer stereochemistry correctly, at least in SMILES notation. This is a major step forward, but I have to do some more checks before the next release...