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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
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Propka3.1 installation failure #46

Closed Alejo1982 closed 4 years ago

Alejo1982 commented 4 years ago

I, guess, have installed propka, when I use it, I get the following error:

alejo@alejo:~/Desktop/Proyecto_UIS/Calculos/3NIR$ /home/alejo/.local/bin/propka31 3nir.pdb Traceback (most recent call last): File "/home/alejo/.local/bin/propka31", line 11, in load_entry_point('PROPKA==3.1.1', 'console_scripts', 'propka31')() File "/home/alejo/.local/lib/python3.8/site-packages/PROPKA-3.1.1-py3.8.egg/propka/run.py", line 14, in main TypeError: loadOptions() missing 1 required positional argument: 'args'

And I do not understand how to solve it, Any suggestion?

Thank you in advance, David

sobolevnrm commented 4 years ago

Hello. I think I broke that with one of the recent updates; I will look for a solution. In the meantime, you could go back to https://github.com/jensengroup/propka-3.1/commit/91925bb92092d3b180a9c086e81822a3fdec6939 for a temporary fix. My apologies.

Alejo1982 commented 4 years ago

Thank you for your fix!!! :D

DocKDE commented 4 years ago

Hi, I have the same issue and your fix didn't help, I'm afraid.