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clarify error message in ilrmsdmatrix when single chain structures are provided #920

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mgiulini opened this issue Jul 3, 2024 · 0 comments · Fixed by #922
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clarify error message in ilrmsdmatrix when single chain structures are provided #920

mgiulini opened this issue Jul 3, 2024 · 0 comments · Fixed by #922
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enhancement Enhancing an existing feature of adding a new one m|ilrmsdmatrix interface-ligand RMSD matrix calculation module

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mgiulini commented Jul 3, 2024 •
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Obviously trying to calculate an ilrmsdmatrix for a single chain ensemble does not make sense. But the current error message is not clear enough about the nature of the error.
Thanks @VGPReys for spotting this
@mgiulini mgiulini self-assigned this Jul 3, 2024
@mgiulini mgiulini added enhancement Enhancing an existing feature of adding a new one m|ilrmsdmatrix interface-ligand RMSD matrix calculation module labels Jul 3, 2024
@mgiulini mgiulini mentioned this issue Jul 3, 2024
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enhancement Enhancing an existing feature of adding a new one m|ilrmsdmatrix interface-ligand RMSD matrix calculation module
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Ilrmsd onechain clarified haddocking/haddock3
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