Linking an NMR chain to a sequence

[VickyH]

On the issue of merging -1 residues: have a look at a discussion of this and the reasons why we don’t do this automatically at

Synthetic peak list and merging i and i-1

Hi Christian, I looked into the merging stuff. This is something which is still rather rudimentary at the moment, but certainly something we will be sorting out in future. The main thing to bear in mind (and I think the reason this wasn’t sorted sooner) is that merging NmrAtoms is irreversible and not undoable. So for this is reason the programme doesn’t do this automatically, and we will certainly always leave this as something that the user has to initiate themselves. So before doing any me…

Basically the problem is that it is not un-doable. So you should only do it when you are absolutely sure of things.

I’m not quite sure what you mean with “linking an NMR chain”.
I think there may be an issue the -1 shifts of the first NmrResidue are not considered when trying to match Amino Acid types and match the NmrChain to the sequence. Is that what you mean? I’ll see if we can dig into that one.

Vicky