haddocking / haddock3

Official repo of the modular BioExcel version of HADDOCK
https://www.bonvinlab.org/haddock3
Apache License 2.0
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ordered traceback #831

Closed mgiulini closed 3 months ago

mgiulini commented 4 months ago

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Closes #830 by ordering the traceback table according to the last column

mgiulini commented 3 months ago

This is sorting based on last column, which makes sense. But could it be also sorted based on previous columns for initial models that did not make it until the end of the workflow ? e.g: [rigibody] sampling = 1000 [seletop] select = 200 [flexref]

in the example, the traceback would sort based on flexref, but randomize order for rigidbody models 201 to 1000.

fair point, it should be quite easy!

mgiulini commented 3 months ago

@VGPReys done! it should be fixed now

VGPReys commented 3 months ago

@VGPReys done! it should be fixed now

Nice amazing !