> >> It seems that Link NOE Resonances is using MS1 (or at least looking for it)
> >> despite my noesy being linked solely to MS3. How can I set it to use just
> >> MS3? I thought this would be determined by the MolSystem of the experiment?
> >
> >Yes, indeed that's what is intended. The structure should always follow
> >the molSystem of the peakList's experiment. However, there was a typo in
> >the code that sets the structure via the pulldown menu in Link NOE
> >Resonances popup, which meant the structure wasn't actually changing. This
> >is now fixed. I'm hoping that's all there was to it...
>
>
> This has changed the error message but it still seems to fail, I now get
> Couldn't find coordinate atoms A GLU 155 HB3
Ben,
I managed to track the problem down with the help your project file. The
issue was that the lower table was matching to shifts in the other
molSystems. Two (very old) bugs were to blame. Fixes posted.
T.
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Department of Biochemistry [log in to unmask]
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