Dear All,

Ahhh, FormatConverter.

You are setting the new MolSystem first, I gather, and importing the 
experiments before the peak lists (all good). Then you import the peak 
list, and there should be options allowing you to choose which spectrum 
to connect it to (sounds like that is working) and which MolSysytem to 
attach it to. Sounds like some switch may have been set wrong here. Not 
sure offhand if the MolSystem selector should be when you import the 
peak list, or when you run LinkResonances. But hopefully there should be 
some likely-looking option that will sort it out for you.

Sorry to be a bit vague, but it easier to try out when you have the 
actual data to play with. If you cannot figure it out looking around for 
possible options, we would have to know more before we could advise you. 
Like which format are the data in, where do they come from, what is 
being shown on the command line, and prefereably have an example of your 
files to work on.

Hope this helps,

Rasmus

On 17/07/2014 10:22, Beate Bersch wrote:
> Dear all
>
> I have a system with two molecular systems with different residue numbers (1-180 and 20-196). My project has been made with the first system, and now I try to integrate the second system in order to be able to superpose HSQC spectra and compare chemical shifts.
> I started by creating my second molecule from the sequence, then I imported chemical shifts, up to here, everything was fine (but there was a strange message asking for peak fitting when I imported resonance assignments). Then I opened the HSQC spectrum and correlated it with the Molecular System and the shift list in the Experiment Window. Now, when I start to import the peak lists with assignments corresponding to the sequence numbers of MS2, I cannot obtain the link resonance menu - Analysis (or Format Converter) tells me that unlinked resonances are present but they do not have  information from external format files, and LinkResonances quits. In the resulting peak list, I have doubly assigned peaks with sequence and numbers from the two molecular systems present. How can I manage to import a peak list by connecting it myself to one of the two molecular systems present ? Any idea ? I suppose that there are some hidden connections between resonances, spectra and molecules that I did not see or understand ... Or is it a problem of chain labeling (my MS2 chain is labelled A, but not the peak file in NMRView format ...).
>
> Thanks
> Beate

-- 
Dr. Rasmus H. Fogh
CCPN Project, Dept. of Biochemistry, University of Leicester