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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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Release new version #168

Closed sobolevnrm closed 8 months ago

sobolevnrm commented 11 months ago

Incorporate recent changes like #167

sobolevnrm commented 8 months ago