Hello,
There is a mixup happening because of a mixed DNA / RNA molecule. I suspect this is a bug in our initialisation code (likely we never tested it on such a system). I’ve put a fix in (which hopefully doesn’t cause other problems) for Analysis 2.4.2, which then meant that project could open ok.
Wayne
> On 24 Nov 2017, at 13:23, Linn Haase <[log in to unmask]> wrote:
>
> Dear all,
>
> I have changed my linux system, and now I cannot open one of my CcpN projects any more. I always get the following error message:
>
> deleting dataStore <ccp.general.DataLocation.BlockedBinaryMatrix ['defaultProject', 29]> with path /home/linn/data/nmr/odn_r_1620/22/pdata/1/2rr
> deleting dataStore <ccp.general.DataLocation.BlockedBinaryMatrix ['defaultProject', 27]> with path /home/linn/data/nmr/ODN_r1_20/500/pdata/1/2rr
> deleting dataStore <ccp.general.DataLocation.BlockedBinaryMatrix ['defaultProject', 22]> with path /home/linn/data/nmr/odn_r_1620/17/pdata/1/2rr
> ApiError: ccp.nmr.Nmr.ResonanceGroup.setResidue:
> residue constraint residue_consistent_with_chemComp violated by value: <ccp.molecule.MolSystem.Residue ['MS2', 'A', 8]>
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/memops/editor/OpenProjectPopup.py", line 208, in apply
> self.callback(self.project)
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/AnalysisPopup.py", line 1632, in initProject
> Analysis.initProject(self, project)
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/Analysis.py", line 311, in initProject
> self.initResonances()
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/Analysis.py", line 1440, in initResonances
> AssignmentBasic.initResonance(resonance, doMerge=False)
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/core/AssignmentBasic.py", line 1298, in initResonance
> assignSpinSystemResidue(spinSystem,residue)
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/core/AssignmentBasic.py", line 4051, in assignSpinSystemResidue
> spinSystem.setResidue(residue)
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/ccp/api/nmr/Nmr.py", line 80379, in setResidue
> + ": %s" % (value,)
>
> My current system is: Kernel: 4.10.0-38-generic x86_64 (64 bit) Desktop: MATE 1.18.0 Distro: Linux Mint 18.2 Sonya
>
> and I am using CcpNmr Analysis 2.4.2 for ubuntu16 with python 2.7.9.
>
> I had the impression that the problem is related to molecules in the project that contain sequence parts with the polymer type DNA/RNA mix. To check, I tried to use this polymer type in a new project. In M:Molecule:Molecules in the Add Sequence tab when selecting DNA/RNA mix as polymer type, I get the following error message:
>
> Traceback (most recent call last):
> File "/home/linn/Programs/ccpnmr/python2.7/lib/python2.7/lib-tk/Tkinter.py", line 1532, in __call__
> return self.func(*args)
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/memops/gui/PulldownList.py", line 462, in <lambda>
> command = lambda n=index: self.setIndex(n, True)
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/memops/gui/PulldownList.py", line 186, in setIndex
> self.callback(obj)
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/popups/EditMolecules.py", line 1422, in setPolymerSeqMolType
> self.displayPolymerSeq()
> File "/home/linn/Programs/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/popups/EditMolecules.py", line 3159, in displayPolymerSeq
> inverseDict = ccpCodeToCode1LetterDict[typ]
> KeyError: 'DNA/RNA'
>
> Can anybody help me? I attach the project that I was trying to open.
>
> Thanks in advance for your help,
>
> Linn
> <odn.tar.gz>
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