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sort before dssp #649

Merged
merged 3 commits into from
Jan 30, 2025
Merged

sort before dssp #649

merged 3 commits into from
Jan 30, 2025

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fgrunewald
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@pckroon
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pckroon commented Jan 28, 2025

Maybe it's cleaner to extract the functionality in SortMoleculeAtoms.run_molecule to a separate function? I'm not sure it makes a big difference tbh

@fgrunewald
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@pckroon perhaps but I think for now this current fix works well enough. For the new protein model we may to have to reexamine the DSSP workflow. Perhaps we fix this issue then

@pckroon pckroon merged commit f86d35d into master Jan 30, 2025
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@pckroon pckroon deleted the fix_648 branch January 30, 2025 09:33
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2 participants