Detailed description of scoring paramaters i.e. energies?

HADDOCK
1

I’ve searched this message board and the HADDOCK documentation but I can’t find the answer for this. I found this paper which is useful (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5324763/) but limited to only a few parameters.

What are the definitions of the other scoring parameters e.g. Esani, Exrdc etc. Is there documentation for this somewhere? Otherwise the tutorials/manuals are quite helpful!

Also, if one is submitting distance restraints i.e. unambiguous restraints, which scoring parameter is applied to these restraints? Presumably not Eair?

2

Refer to the online HADDOCK2.2 manual at:

http://www.bonvinlab.org/software/haddock2.2/run/#scoring

And all distance restraints are under Eair

3

Oh thanks for the quick response. Apologies for apparently not looking hard enough!

4

And for clarity I added a new section to the HADDOCK online manual:

http://www.bonvinlab.org/software/haddock2.2/scoring/

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