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Allow the definition of chain combinations to be used for scoring #1414

@amjjbonvin

Description

@amjjbonvin

Desired feature/enhancement

Currently the scoring modules allow to calculate HADDOCK scores per interface. This info is written to the header of the PDB files and in separate csv files, but not used to specify to score/rank the models on a specific interface combination. It would be nice in the case of multi chain complexes to be able to focus the scoring on a specific interface (as done for example in the prodigyprotein module)

Motivation

Especially in scoring scenarios, this will allow to focus the scoring/ranking on specific interfaces.

Description

Should ideally be implemented in each scoring module (emscoring and mdscoring).
Could consider also implementing this in all sampling and refinement modules (but should be a different issue)

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enhancementImproving something in the codebasem|emscoringRelated to emscoring modulem|mdscoringmdscoring module

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