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@hannahbaumann hannahbaumann changed the title Fix multi chain RMSD analysis [WIP] Fix multi chain RMSD analysis Dec 18, 2025
@hannahbaumann hannahbaumann self-assigned this Dec 19, 2025
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Check if this works for triclinic boxes. From Irfan: There might also be code in MDAnalysis that does the math also working for triclinic boxes.

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Analysis does not work properly for proteins with multiple chains

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