Hello,
We're not quite sure what is going on, can you send us a screen shot (not
via the mailing list if you don't want)?
Thanks, Wayne
On Fri, 2 Oct 2009, Magnus Kjaergaard wrote:
> Hi everybody...
> I'm comparing a NOE list to a structure using the "Restraints and
> Violations" menu.
>
> The problems is that Analysis flags a lot of restraints as violated that
> clearly aren't violated in the structure. This seems to stem from the way
> non-stereo specific atoms are treated, where as far as I can see it is
> flagged as violated if just one of the possible atom combinations is outside
> the restraint bounds, even though the "Struc Value" is well inside the bounds.
>
> Is this a correct interpretation and if so is that the way it is intended to
> work? (I would think it would be more useful to have it appear as violated,
> only if none of the possible atom combinations were within the bounds).
>
> Magnus
> Uni. of Copenhagen/The Scripps Research Institute
>
|