PROPKA 3: Heuristic \(\text{p}K_\text{a}\) prediction¶
- Release
3.2.0
- Date
Jun 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 https://github.com/jensengroup/propka.
Getting help¶
Please report bugs and feature requests for PROPKA through the Issue Tracker.
Contributing¶
PROPKA welcomes new contributions. To contribute code, submit a pull request against the master branch in the propka repository.
Citation¶
If you use PROPKA 3 in published work please cite [Sondergaard2011] and [Olsson2011].