PROPKA 3: Heuristic \(\text{p}K_\text{a}\) prediction




Dec 19, 2020

PROPKA 3 predicts the \(\text{p}K_\text{a}\) values of ionizable groups in proteins [Sondergaard2011] and protein-ligand complexes based on the 3D structure [Olsson2011].

This package installs the propka3 command and the propka Python package.

License and source code

PROPKA 3 is released under the GNU Lesser General Public License v2.1 (see the files LICENSE in the repository for details).

Source code is available in the public GitHub repository

Getting help

Please report bugs and feature requests for PROPKA through the Issue Tracker.


PROPKA welcomes new contributions. To contribute code, submit a pull request against the master branch in the propka repository.


If you use PROPKA 3 in published work please cite [Sondergaard2011] and [Olsson2011].

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