Is it possible only to get Haddock scores from my docked complex without running docking?

HADDOCK
1

I want to get the score only for my docked complex.

2

Do you mean getting the HADDOCK score for a complex obtained from some other method?

Or from a HADDOCK model?

3

I meant a complex obtained from other methods, like Clustpro/GRAMMDOCK, I already got the scores from the haddock run.
I wanted to compare the scores.

4

If you were to install the new (still beta) HADDOCK3 version we have a haddock3-score command that will return the score (it will perform a short EM).

In HADDOCK3 you could also run a scoring workflow for all your complexes (check the scoring / emscoring example).

To compare the scores I would suggest to also run the same on your HADDOCK models to possibly remove the restraint energy.

Alternatively, you can run your model through the refinement server of HADDOCK2.4

1 Like
5

Thank you! Haddock3 worked.