I have a situation, where I have importet peak lists from Cyana into
Anaylsis. Everything seems to have worked fine, except that for a few
peaks, 71IleHg2* has been changed into 71IleHd1*. As this only concerns
around 10 peaks, I thought I would simply re-assign them manually. This
works for the first peak, but then I get the following error message and
am not able to select a new resonance/'contribution' to the peak
(restarting Analysis does not help):
1H resonance 71IleHd1* has multiple bound resonances 71IleCd1,71IleCg2:
This could be a mistake or redundant assignment
Exception in Tkinter callback
Traceback (most recent call last):
File "/xtools/swx/ccpnv/python2.4/lib/python2.4/lib-tk/Tkinter.py",
line 1345, in __call__
return self.func(*args)
File "/swx/ccpnv/ccpnmr1.0/python/memops/gui/ScrolledMatrix.py", line
604, in mouseClick
self.selectCell(row,col)
File "/swx/ccpnv/ccpnmr1.0/python/memops/gui/ScrolledMatrix.py", line
1596, in selectCell
self.callback(self.currentObject, objRow, objCol)
File "/swx/ccpnv/ccpnmr1.0/python/ccpnmr/analysis/ResonanceFrame.py",
line 297, in setCurrentResonance
self.guiParent.assign(object)
File
"/swx/ccpnv/ccpnmr1.0/python/ccpnmr/analysis/EditAssignmentPopup.py",
line 619, in assign
assignPeakDim(resonance,peakDim,atomSets0,self.contrib,tolerance)
File "/swx/ccpnv/ccpnmr1.0/python/ccpnmr/analysis/AssignmentBasic.py",
line 1158, in assignPeakDim
contrib = assignResToDim(peakDim,resonance,contrib,tolerance)
File "/swx/ccpnv/ccpnmr1.0/python/ccpnmr/analysis/AssignmentBasic.py",
line 1434, in assignResToDim
contrib = Nmr.PeakDimContrib(peakDim,resonance=resonance)
File "/swx/ccpnv/ccpnmr1.0/python/ccp/api/Nmr.py", line 69013, in
__init__
raise ApiError("AbstractPeakDimContrib must have a peakContribs
input parameter where the peak has more than one possibility")
ApiError: AbstractPeakDimContrib must have a peakContribs input
parameter where the peak has more than one possibility
Any ideas, how I can re-assign my peaks properly?
Thanks.
Vicky
--
****************************************************
Dr. Victoria Higman
Leibniz-Institut fuer Molekulare Pharmakologie (FMP)
Robert-Roessle-Str. 10
13125 Berlin
Germany
Phone: +49-30-94793 223
E-mail: [log in to unmask]
****************************************************
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