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Hi Wayne, Thanks for the quick reply. I created a new molecule, one with a regular serine, and Nexus now works well. So, that does appear to be the problem. Thanks again, Jeremy On Mon, Aug 23, 2010 at 2:56 PM, Wayne Boucher <[log in to unmask]> wrote: > Hello, > > I have looked at the code and can see where it is likely to be going wrong > and it would indeed be because of phosphoserine. I could change the code > but I'll have to ask Tim (currently in Australia) if the change is ok. > > Wayne > > On Mon, 23 Aug 2010, Jeremy wrote: > >> Hi all, >> >> I am using CCPN to auto-assign a protein for which I have manually >> picked peaks. I have HNCA, HNCOCA, HNCACB, CBCACONH, and 15N HSQC >> spectra. I have curated a nice list of peaks and followed the >> included instructions closely. >> >> However, when I run Nexus, I get the "Preparing Spin System Typing" >> progress bar stuck at zero. Then, I get the following error: >> >> >> Exception in Tkinter callback >> Traceback (most recent call last): >> File "/Applications/ccpnmr2/python2.6/lib/python2.6/lib-tk/Tkinter.py", >> line 1410, in __call__ >> return self.func(*args) >> File >> "/Applications/ccpnmr2/ccpnmr2.1/python/ccpnmr/nexus/AutoBackbonePopup.py", >> line 1297, in runNexus >> keepExisting, progressBar) >> File >> "/Applications/ccpnmr2/ccpnmr2.1/python/ccpnmr/nexus/AutoBackboneNexus.py", >> line 132, in autoBackboneNexus >> progressBar) >> File >> "/Applications/ccpnmr2/ccpnmr2.1/python/ccpnmr/nexus/AutoBackboneNexus.py", >> line 497, in getInitialAssignMatrix >> scores = getShiftsChainProbabilities(shifts, chain) >> File >> "/Applications/ccpnmr2/ccpnmr2.1/python/ccpnmr/analysis/core/ChemicalShiftBasic.py", >> line 232, in getShiftsChainProbabilities >> total = sum(probDict.values()) >> TypeError: unsupported operand type(s) for +: 'float' and 'NoneType' >> >> >> Nexus works with another, old dataset, so I suspect it is specific to >> the current project. Any ideas what could be the matter? I do have a >> phosphoserine residue in the sequence, could this be the issue? >> >> Thank you in advance for your help! >> >> ~Jeremy >> >