> > I've just been using the constraints window to look for violations, which is
> > great, but when there is an ambiguous restraints with different lines
> > (907:0, 907:1, etc) and then I sort by violations, the different lines get
> > split up even though they are from the same restraint. Is there any way
> > round this?
>
> How would you want them to be sorted if the different possibilities of
> each constraint give different violations? Always use the largest
> violation out of the possibilities? - This could be easily fixed with a
> new "max viol" column for each constraint...
Sorry, brain not in gear. There's only one violation per constraint, it is
not per possibility.
So, all I have to do is state the violation value for every possibility
row. This does of course assume that we are dealing with physical rather
than logical ambiguity, but I think that is fair enough given the
violation analysis does this too.
T.
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Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766018 (office)
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