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Becksteinlab / propkatraj

pKa estimates for proteins using an ensemble approach
https://becksteinlab.github.io/propkatraj/
GNU General Public License v2.0
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Tests fail for MDAKit registry check #72

Closed orbeckst closed 1 week ago

orbeckst commented 3 weeks ago

Tests fail for MDAKit registry check https://github.com/MDAnalysis/MDAKits/issues/153 and https://github.com/MDAnalysis/MDAKits/issues/152

(Need to check what is actually going wrong and what needs fixing.)

orbeckst commented 3 weeks ago

Not sure where to look to find out what's actually wrong – see https://github.com/MDAnalysis/MDAKits/issues/152#issuecomment-2212497857

IAlibay commented 3 weeks ago

@orbeckst the issue is with the fetch_mmtf command - apologies I ran out of time last night to raise relevant details. Working on a solution.