Pick and assign navigating to @i-1 atoms implementation

Dear all,

I follow on Xiao’s recent Topic, and propose implementations for ssNMR that I would find helpful.
First of all, I believe what I’m trying to do is not currently possible, but I’d be happy to be corrected if wrong, and close this discussion.

I find myself often working with solid-state spectra lacking the N-H correlation plane, which makes my assignment procedure a bit different from the standard.
Let’s say I start from a CANCO, and Set up NmrResidues (very excited about the new macro! I will try it soon). I will now have in my NmrChain N, CA for residues @i, and C for @i-1.
For a bunch of other spectra (NCOCX, CANCOCX, CONCACX …) it would be fantastic if the Pick and Assign module could navigate to the coordinates of N.@i and C.@i-1. This way, as for a CANH or a CONH starting with NH-based NmrResidues, I could immediately pick all the frequencies I need.
Potentially, one could turn this into an option that allows to navigate to any chosen combination of @i-1, @i or @i+1 nuclei, if they are available. And maybe, also choose whether the marks for the other nuclei should appear (eg, if already available, having CA, CB…@i-1marks appearing in the CX axis of an NCOCX).

Thanks a lot in advance.

All the best,

Hi Fede,

having done ssNMR assignments myself I am very aware that the current setup is very solution/NH focussed. And we definitely have plans to make things much more flexible. In particular, we have begun drawing up some plans for a more flexible way to create strip plots defined by the user. Once that is done, my guess is that could (relatively easily?) be incorporated into the Pick & Assign module to make that amenable to other assignment schemes (I sometimes think every ssNMR lab seems to have it’s own! :wink: ).
As for time scales - I fear this is still a bit of a way off. The design of this is meant to be relatively high up on my ToDo list, but there are still some other things that need finishing off first…


Dear Vicky,

I understand. Thank you for considering it :slight_smile: