jensengroup / propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
http://propka.org
GNU Lesser General Public License v2.1
256 stars 58 forks source link

Consider eliminating propka/version.py #188

Open speleo3 opened 6 months ago

speleo3 commented 6 months ago

Quoting Nathan (98263516bc828f89f3fb0be4b9295b9d970cdf20 May 2020):

TODO - this module unnecessarily confuses the code. Can we eliminate it?

propka/version.py provides an abstract Version class and several subclass implementations. The only implementation that we currently use is VersionA, which gets selected from propka.cfg. It's unclear whether the other implementations are even working and there is neither documentation nor example code for how and why to use them.

API doc: https://propka.readthedocs.io/en/latest/api/propka.version.html

See also https://github.com/jensengroup/propka/issues/179