Ambiguous and unambiguous restraints

HADDOCK
1

The HADDOCK category is meant to discuss any HADDOCK-related issue. For general information about HADDOCK refer to http://www.bonvinlab.org/software/haddock2.2

I would like to ask, what is difference in the counting method (if any)

  • if I submit restraints to an ambiguous restrain file but with NO random exclusion or I submit the same restraints to the unambiguous file.

  • if I submit restraints to the unambiguous file like containing “OR” or “AND” , like these:
    assign ( resid 11 and segid A)
    (
    ( resid 9 and segid B)
    or
    ( resid 10 and segid B)
    or
    (
    …
    ) ) 2.0 2.0 0.0

assign ( resid 11 and segid A)
(
( resid 9 and segid B)
and
( resid 10 and segid B)
and
(
…
) ) 2.0 2.0 0.0

Thank you for your reply!

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2

if I submit restraints to an ambiguous restrain file but with NO random exclusion or I submit the same restraints to the unambiguous file.
==> this would be the same

For the second question, the AND would not select any atoms… since it would be the intersection of the selection and no atom belongs to two residues. Only OR will work in this case

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