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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Propka public webserver #131

Closed laura-biolib closed 2 years ago

laura-biolib commented 3 years ago

Hi there!

Jan Jensen mentioned that he's not too involved with updates on the tool any longer and suggested getting in touch with you here on GitHub.

I am working on this project, BioLib, where we are trying to make various bioinformatics tools more accessible. As a part of the project I've set up a publicly available webserver version of Propka . The server also comes with a Python API.

I have just created it using my personal user on BioLib for now, but if you are interested, I can show you how to move the tool to an account of your own and how to set it up such that updates to Propka in your GitHub repo are pushed automatically to the webserver.

Also if you have any comments or input on how the web server or interface can be improved, obviously let me know :)

Best,

Laura

sobolevnrm commented 3 years ago

Hello --

PROPKA is also integrated into http://server.poissonboltzmann.org.

Thanks!