heuristic pKa calculations with ligands (Python 3)

 PROPKA predicts the pKa values of ionizable groups in proteins (version 3.0)
 and protein-ligand complexes (version 3.1 and later) based on the 3D structure.
 .
 For proteins without ligands both versions should produce the same result.
 .
 This package installs the library for Python 3.