 |
 |
Hello, That was a bug which I think was fixed in Analysis 2.2 so if you can upgrade (the latest is 2.4.0 but we'll have a 2.4.1 soonish) that would be ideal. The problem with the code (as it was) is that it only worked for "standard" amino acids (well, and for some reason also 'Cyss') and "standard" atoms. For Gly it is looking for one of C, CA, H, HA2, HA3 or N. Unfortunately the way the code was written it seems to have been looking for HA in the spot where it fell over for you (the way I understand it). Wayne On 8 Sep 2014, at 12:53, Aswani Kumar wrote: > Hello Analysis Users, > > I am getting an error and the following trace back when I select the "show glycines" option in the pop-up M :: DataAnalysis :: 3J-H-Ha-coupling for extracting J coupling values from a 3D-HNHA spectrum. However, I am able to get the coupling values for other residues. What could be the reason for this? > > traceback: > =============================================================================================================== > >>>> Exception in Tkinter callback > Traceback (most recent call last): > File "/home/nmrware/ccpnmr/python2.6/lib/python2.6/lib-tk/Tkinter.py", line 1410, in __call__ > return self.func(*args) > File "/home/nmrware/ccpnmr/python2.6/lib/python2.6/lib-tk/Tkinter.py", line 495, in callit > func(*args) > File "/home/nmrware/ccpnmr/ccpnmr2.1/python/ccpnmr/analysis/popups/CalcHnHaCoupling.py", line 933, in update > self.couplingData = couplingData = self.extractHnHaCouplingData() > File "/home/nmrware/ccpnmr/ccpnmr2.1/python/ccpnmr/analysis/popups/CalcHnHaCoupling.py", line 1192, in extractHnHaCouplingData > score = intensity * getAtomProbability(ccpCode, atomName, ppm) > TypeError: unsupported operand type(s) for *: 'float' and 'NoneType' > ================================================================================================================ > > I am using CcpNmr Analysis version 2.1 (Release 5) on Linux SuSe 11.4 . > > thanking you in advance, > > K. Aswani Kumar > Graduate Student > Molecular Biophysics Unit > Indian Institute of Science > Bangalore-560012 > India