Hi,
I have tried using the CSP beta module to measure the CSP between my apo protein and a spectrum with a known binder.
Firstly is there an easy way to do this as it was quite easy in V2 (Shift Differences) as all it needs to do is subtract the chemical shifts and then apply the weighting for 1H and 15N.
IN the CSP module it is quite involved and then the delta delta values were much larger than I was expecting and different to those in V2. 0.086 is coming out as 0.329 ppm.
thanks,
Ken
The current beta chemical shift perturbation tool is very much set up for titrations rather than 2 point comparisons. I’m sure that will change in future but in the meantime I’ve shared a simpler macro with Ken that I expect will appear in the Macro Library Macro Library - CCPN shortly.
Brian