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jensengroup / propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
http://propka.org
GNU Lesser General Public License v2.1
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Retroactively add ChangeLog entries #117

Closed sobolevnrm closed 3 years ago

sobolevnrm commented 3 years ago

Thank you for starting it.

I would suggest to retroactively add entries for the original PROPKA 3.1 and then the re-release, with some notes on what happened (can be taken from the docs/twitter post), although this could be done in a separate PR (maybe by @sobolevnrm ?)

Yes; will do.

Originally posted by @sobolevnrm in https://github.com/jensengroup/propka/issues/115#issuecomment-743207911

sobolevnrm commented 3 years ago

@speleo3 and @orbeckst -- I apologize... I didn't mean to push this to master.