Hi,
I'm trying to run the BACUS 3d version integrated in analysis.
I have a 3D 15N-edited NOESY (and of course a 2D NOESY) but not a 13C-edited
one.
The console log reads as attached below, I don't get an error window within
analysis.
Could this be due to picked negative peaks in the diagonal?
Two more quick questions:
- I also tried to use BACUS 2d using an external executable. Where are the
created input files (shifts.inp, cylink.inp and tylink.inp) stored?
- Is there any documentation available for the "structure" menu in analysis?
Thanks!
Martin <*>
***
Make input
Exception in Tkinter callback
Traceback (most recent call last):
File "/usr/lib/python2.4/lib-tk/Tkinter.py", line 1345, in __call__
return self.func(*args)
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/clouds/BacusPopup.py",
line 191, in runBacus3d
run3dBacus(fileRoot,self.shiftList,self.cNoesy,self.nNoesy)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/clouds/ResonanceIdentification.py",
line 205, in run3dBacus
makeBacusInput(fileRoot,cNoesy,nNoesy,shiftList)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/clouds/ResonanceIdentification.py",
line 278, in makeBacusInput
makeIntensityInputFile(nNoePeakList,nNoeDistFileName)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/clouds/ResonanceIdentification.py",
line 342, in makeIntensityInputFile
d = (k/x)**(1/6.0)
ValueError: negative number cannot be raised to a fractional power
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