python3-propka

heuristic pKa calculations with ligands (Python 3)

Description

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.

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Homepage

http://propka.org


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