Renumber NMRresidues - Printable Version

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Renumber NMRresidues - jcappele - 06-29-2020

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,

RE: Renumber NMRresidues - VickyH - 06-29-2020

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,


RE: Renumber NMRresidues - jcappele - 06-30-2020

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,