On 8 Jul 2016, at 00:28, Giridhar Sekar <[log in to unmask]> wrote: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 SekarPostdoctoral ResearcherDavid Cowburn Research GroupAlbert Einstein College of Medicine, Bronx, NY