Automatic Protonation States via PropKa

[fgrunewald]

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

[pckroon]

Cool, excellent idea. We need to be sure to add the appropriate citation if we implement a Processor for this.

[fgrunewald]

@pckroon for sure. I was thinking this could be a useful hacktoberfest task also?

[pckroon]

Great plan. I might pick it up myself in October, if no-one else claims it.