Renumber NMRresidues

Hi everyone,

I was wondering if it is possible to renumber NMRresidues. I started to use the new V3 on Windows with a 1-year old project I didn`t finish. Time to get that structure now!

The problem is my NMRresidues start at around @700, which is strange and disturbing. I didn`t find anything of this kind in the documentation yet, and I had the problem on V2 as well.

Thanks for your answer !

Best regards,

Hi JC,

V3: you can renumber NmrResidues, but have to do this either one by one or on the command line at the moment. I can probably write a macro for you to do this if you like.
If it is your Chain you want to renumber then that isn`t possible yet. But you can create a new one and select whatever start number you like in the bottom left hand corner.

V2: You can renumber your whole molecule in the Molecule/Molecules pop-up at the bottom of the Chains tab.

If you are wanting to calculate a structure, you are better off using V2 for the time being. The Structure side of things is still very much in development in V3.

Best wishes,


Hi Vicky,

Thanks for your answer, I will stick to V2 then.

About the issue I mentioned before, it is not the molecule chain number but the spin system number and resonance number, as you can see in the attachment file below.
Is there a way to `reinitialize` these numbers so the lowest number, let`s say the hypothetical spin system #581, will be renumbered to spin system #1 ?

By the way, on WSL (Ubuntu18.04) with VcXsrv, V2.5.0 works like a charm.

Best regards,