I am attempting to use the integrated CYANA structure calculation module. It works fine and calculates the structure for me, but I am having some trouble importing the results.
I get the following error message and cannot figure out what is going wrong:
Exception in Tkinter callback
Traceback (most recent call last):
File "/sbinlab2/software/x64/ccpnmr/python2.6/lib/python2.6/lib-tk/Tkinter.py", line 1410, in __call__
return self.func(*args)
File "/sbinlab2/software/x64/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/AnalysisPopup.py", line 2186, in importCyanaData
dataSources = importDataFromCyana(self.argumentServer)
File "/sbinlab2/software/x64/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/macros/MultiStructure.py", line 61, in importDataFromCyana
dataSources = intIo.importDataFromCyana(argServer)
File "/sbinlab2/software/x64/ccpnmr/ccpnmr2.4/python/ccpnmr/integrator/core/Io.py", line 1209, in importDataFromCyana
dataSources = importFromCyana(nmrCalcRun,targetDir)
File "/sbinlab2/software/x64/ccpnmr/ccpnmr2.4/python/cyana2ccpn/cyana2ccpn.py", line 79, in importFromCyana
acoFiles=acoFiles, cyaFiles=cyaFiles,noaFiles=noaFiles)
File "/sbinlab2/software/x64/ccpnmr/ccpnmr2.4/python/cyana2ccpn/CyanaParser/CyanaParser.py", line 406, in parse
violationList = self.parseNoaFile(f, violationLimit)
File "/sbinlab2/software/x64/ccpnmr/ccpnmr2.4/python/cyana2ccpn/CyanaParser/CyanaParser.py", line 1217, in parseNoaFile
sequenceId = int(nextLine[atmIdx[0]])
IndexError: list index out of range
I noticed from the tutorial data that it uses Cyana 3.0 whereas I am using 3.96. I don't know if that could be the problem?
best regards
Casper
