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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basic documentation #69

Closed orbeckst closed 4 years ago

orbeckst commented 4 years ago

At this stage probably the most impactful addition is going to be documentation. Issues #27 and #28 requested the old, defunct tutorials. However, these would be out of date anyway.

A first milestone would be

If you agree to the general requirements, we can raise individual issues for the parts. Some require more work than others. At this stage, anything is better than nothing, so I would add docs as we go along and perhaps use small tasks here to involve additional contributors.

orbeckst commented 4 years ago

@sobolevnrm would you please get https://propka.readthedocs.io/ on ReadTheDocs so that it's clear that you have admin/owner there? I could probably do it but I don't have experience with shifting admin around.

Once that's there we can just try building docs there. I am starting a sphinx skeleton (PR coming).

orbeckst commented 4 years ago

You can see example build at https://becksteinlab.github.io/propka/index.html

sobolevnrm commented 4 years ago

I

@sobolevnrm would you please get https://propka.readthedocs.io/ on ReadTheDocs so that it's clear that you have admin/owner there? I could probably do it but I don't have experience with shifting admin around.

Once that's there we can just try building docs there. I am starting a sphinx skeleton (PR coming).

Done! Not much to see at https://propka.readthedocs.io/en/latest/ until @speleo3 approves PR https://github.com/jensengroup/propka/pull/70