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Published 20 hours ago • verified publisher icon marrink-lab

Automatic Protonation States via PropKa

Open fgrunewald opened this issue 1 year ago • 3 comments

Apparently the popular propka group has a functional python package. We could leverage this to automatically set pronation states in martinize. https://github.com/jensengroup/propka

fgrunewald avatar Aug 26 '22 15:08 fgrunewald