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Hi there, I am aware that the way Analysis handles violations is still fairly experimental and since it doesn't support ensembles still a bit meaningless anyway. Nevertheless I try to understand how things like the problem depicted below can occur. I have a constraint for 6A, the calculated distances are ~4.9A (NOE sum) and ~5.0A (min Dist). Analysis reports a violation of 0.7A that it could only derive if it takes the HE2-HA distance (from a Ha-Hea assignment). Since Xplor-NIH doesn't think this is violated I think this is a case where there is something going on within Analysis that should probably made more transparent to the users... Anyway in my opinion the assignment software should be faithful to the ways the structure calculation software handles this, since there is no way to enforce restraints that don't come up as violated during the calculations. Or is there a better explanation? Christoph -- --------------------------------------------------------- Dr. Christoph Brockmann Division of Structural Studies MRC Laboratory of Molecular Biology Hills Road Cambridge, CB2 2QH phone: +44-1223-40-2261 or +44-1223-40-2068 e-mail: [log in to unmask] ---------------------------------------------------------