Transferring assignments to referenced spectra

Analysis Version 3
1

Hi,

I have finished assigning my protein in CCPN v3, however then I realised that my spoectra were not referenced correctly. I have now imported the correctly referenced spectra into the project. Is there an easy way to change all the CS assignments to their positions in the correctly referenced spectra.

Best wishes,
Kirsten

2

Rather than transfering your assignments to the correctly referenced spectra, it will be quicker to apply the correct referencing to your existing spectra - all the crosspeaks will move with the referencing and your chemical shift list(s) will be updated.
You can check the reference shift for each dimension of the correctly referenced spectra (open the spectrum properties and look in the Dimensions tab) and then apply these values to your original spectra.

3

Hi Kirsten,

that is what I was going to recommend, too.

If you have lots of spectra you could do it with a little macro like this for each spectrum:

get('SP:hsqc_old').referenceValues = get('SP:hsqc_new').referenceValues

If the referencing Points have changed, too, then you’ll also need an equivalent line like this:

get('SP:hsqc_old').referencePoints = get('SP:hsqc_new').referencePoint

And if you have systematically renamed your spectra (e.g. the new spectra have the same names as the old ones, but with _new at the end) you could wrap it all in a bit more Python to do everything in one go:

for sp1 in project.spectra:
    for sp2 in project.spectra:
        if sp2.name == sp1.name + '_new':
            sp1.referenceValues = sp2.referenceValues
            sp1.referencePoints = sp2.referencePoints

Vicky