Oliver Beckstein

icon indicating a website link https://becksteinlab.physics.asu.edu icon indicating an email [email protected]

icon company Arizona State University icon location Tempe, AZ, USA icon location I lead a computational research group in the Department of Physics at Arizona State University (@Becksteinlab) and am a co-founder of @MDAnalysis.

Results 753 comments of Oliver Beckstein

Review/update to work with propka >= 3.3.0

I think we won't have a propkatraj version that can use proka 3.2.0 so we will have to explicit forbid it in setup.py.

Review/update to work with propka >= 3.3.0

Thanks for digging into the compatibility. I agree with your plan to get a quick working release out (possibly pinned). This will help with reproducibility. Then we can assess the...

Be stricter on the protein residue check

Yes, sounds sensible.