haddocking / haddock3

Official repo of the modular BioExcel version of HADDOCK
https://www.bonvinlab.org/haddock3
Apache License 2.0
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Per interface scoring #896

Closed amjjbonvin closed 4 months ago

amjjbonvin commented 4 months ago

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Added the option to the scoring modules to output per interface scores in the header of the PDB files

VGPReys commented 4 months ago

Smooth on my side too. Added small machinery to generate corresponding output tsv files when the option is set!