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Dear formatConverter users,

I am frustrated! I have for several hours tried to import files from  
CYANA 2.1. I use CYANA for structure calculaions and NOE assigments,  
and after running a structural calculation I would like to import the  
newly assigned peaks back to Analysis. But I can not manage this!

Has anyone succeeded in doing this, and in that case how did yoy do it?

I get so many different error messages I do not really know where to  
start.

First thing I tried was to import sequence, peak file, assignments  
adn peak asignments using the "multiple files" option. Everything  
seemingly seems to work, but when I run "Link resonances" I get the  
following eroor messages:


Exception in Tkinter callback
Traceback (most recent call last):
   File "/sw/src/fink.build/root-python24-2.4.1-101/sw/lib/python2.4/ 
lib-tk/Tkinter.py", line 1345, in __call__
     return self.func(*args)
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/gui/ 
ImportExportFormatPopup.py", line 774, in ok
     if (not self.apply()):
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/gui/ 
ImportExportFormatPopup.py", line 796, in apply
     self.parent.linkResonances()
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/gui/ 
FormatConverter.py", line 870, in linkResonances
     popup = self.multiDialog.LinkResonancesSetup 
(self,self.project,nmrConstraintHead)
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/general/ 
MultiDialog.py", line 523, in LinkResonancesSetup
     linkRes = linkResonances(project,guiParent =  
guiParent,nmrConstraintHead = nmrConstraintHead,**keywds)
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/process/ 
linkResonances.py", line 359, in __init__
     self.run(proj,**keywds)
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/process/ 
linkResonances.py", line 666, in run
     self.linkResonancesToAtoms()
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/process/ 
linkResonances.py", line 2156, in linkResonancesToAtoms
     refResName = resNameGroup[0]
IndexError: list index out of range



Next I try to use CYANA to write a nmrView format CP-file. But this  
file will not even start to be processed

Exception in thread Thread-6:
Traceback (most recent call last):
   File "/sw/src/fink.build/root-python24-2.4.1-101/sw/lib/python2.4/ 
threading.py", line 442, in __bootstrap
     self.run()
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/gui/ 
ImportExportFormatPopup.py", line 91, in run
     self.returnValue = self.__target(*self.__args, **self.__kwargs)
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/converters/ 
DataFormat.py", line 1662, in readPeaks
     self.getPeaks()
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/converters/ 
NmrViewFormat.py", line 203, in getPeaks
     self.peakFile.read()
   File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/format/nmrView/ 
peaksIO.py", line 168, in read
     (assign[i],ppm[i],width[i],box[i],shape[i]) = cols[:5]
ValueError: need more than 2 values to unpack


I also tried other stuff, which gave me other error messages, but I  
wont bother you with those...

Please advice! Analysis is such a nice program, but I am getting more  
and more frustrated over formatConverter, it never seems to do what I  
want it to do. And importing and exporting is still necessary in the  
NMR structure determination process.

Magnus Helgstrand