haddocking / haddock3

Official repo of the modular BioExcel version of HADDOCK
https://www.bonvinlab.org/haddock3
Apache License 2.0
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Alascan presentation of results #866

Closed amjjbonvin closed 2 months ago

amjjbonvin commented 3 months ago

Is your feature request related to a problem? Please describe.

Currently the nice Alascan html plot displays weighted delta as label on the y axis. This is confusing. Looking at the data what is plotted is mutant - wild type difference.

Describe the solution you'd like

I would suggest to change the y-axis label to: Delta (WT - mutant)

This is means that the difference should be calculated as WT - mutant rather than mutant - WT (which is the current status). In that way WT residues having an important contribution to the binding will show negative scores, which is more intuitive to my opinion.