PROPKA: Heuristic pKa calculations with ligands
JSON →PROPKA 3 is a Python library and command-line tool for predicting the pKa values of ionizable groups in proteins and protein-ligand complexes based on their 3D structure. It is actively maintained by the Jensen Group, with regular updates addressing bug fixes, performance improvements, and new features. The current version is 3.5.1.
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API endpoints
full doc /v1/registry/propka
install /v1/registry/propka/install
compatibility /v1/registry/propka/compatibility