A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
- libgfortran4
- gawk
- pytest
- numpy
pypka is distributed under a LGPL-3.0, however delphi4py depends on DelPhi which is proprietary. To use DelPhi the user is required to download the DelPhi license here
Documentation can be found here. (Under development)
pip3 install pypka
apt install gawk gcc gfortran libgfortran4
Please submit a github issue to report bugs and to request new features. Alternatively you may find the developer here. Please visit ou website for more information.