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I am trying to export chemical shifts using the format converter.  I end up
with the following error message. The error seems to arise from the CD* and
CG* resonances for Valine and Leucine residues. The export function works
correctly in another project that I am working with and the assignment was
performed using similar techniques. The second project does not have this
problem, although the atom names for the resonances appear to be identical
in both cases. Any advice is appreciated.

Exception in Tkinter callback
> Traceback (most recent call last):
>   File "/usr/local/ccpnmr/python2.6/lib/python2.6/lib-tk/Tkinter.py", line
> 1410, in __call__
>     return self.func(*args)
>   File
> "/usr/local/ccpnmr/ccpnmr2.4/python/ccpnmr/format/gui/ImportExportFormatPopup.py",
> line 565, in <lambda>
>     self.exportButton[component] = Tkinter.Button(master, text = "Export
> %s file." % component, command = lambda comp = component:
> self.importExportFile(comp))
>   File
> "/usr/local/ccpnmr/ccpnmr2.4/python/ccpnmr/format/gui/ImportExportFormatPopup.py",
> line 801, in importExportFile
>     returnValue = rwFunc(*addArgs,**addKeywds)
>   File
> "/usr/local/ccpnmr/ccpnmr2.4/python/ccpnmr/format/converters/DataFormat.py",
> line 2088, in writeShifts
>     return self.writeMeasurements(*args, **keywds)
>   File
> "/usr/local/ccpnmr/ccpnmr2.4/python/ccpnmr/format/converters/DataFormat.py",
> line 2168, in writeMeasurements
>     self.createAtomMeasurements()
>   File
> "/usr/local/ccpnmr/ccpnmr2.4/python/ccpnmr/format/converters/DataFormat.py",
> line 9433, in createAtomMeasurements
>     self.getResonanceAtomLinks()
>   File
> "/usr/local/ccpnmr/ccpnmr2.4/python/ccpnmr/format/converters/DataFormat.py",
> line 11365, in getResonanceAtomLinks
>     """ % (([x.serial for x in resSetResonances]), preferredAtomNames))
> Exception: Inconsistent assignment:
> resonances [41, 42] map onto atom names ['CD2', 'CD2']
> Cannot map atom names for export.
>


-- 
Giridhar Sekar
Postdoctoral Researcher
David Cowburn Research Group
Albert Einstein College of Medicine, Bronx, NY