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
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