Hello,
I’m not sure what really caused the problem, so not sure what the solution is (!).
Wayne
> On 13 Apr 2015, at 10:27, Gary Thompson <[log in to unmask]> wrote:
>
> Hi Wayne
>
> is there a longer term fix so this doesn’t happen again/ do we know why it happened in the first place?
>
> regards
> gary
> --
> -------------------------------------------------------------------
> Dr Gary Thompson [Leeds Biological NMR Facility]
>
> Astbury Centre for Structural Molecular Biology,
> University of Leeds,
> Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
> email: [log in to unmask] Fax +44-113-3431935
> -------------------------------------------------------------------
>
>
>
>> On 10 Apr 2015, at 09:00, Wayne Boucher <[log in to unmask]> wrote:
>>
>> Hello,
>>
>> Those are good suggestions and should normally work. Johan sent me the project and I tried the below (more or less) but it didn’t seem to quite clean up the problem. I think that for some arcane technical reason some of the data got out of sync (because of 1-way links in the API, to be very technical) and in the end typing the following at the Python prompt seemed to sort the issue by getting the data back in sync:
>>
>>>>> top.initAtomSetMappings()
>>
>> Wayne
>>
>>> On 10 Apr 2015, at 08:56, Gary Thompson <[log in to unmask]> wrote:
>>>
>>> Hi Johan
>>>
>>> Try this
>>>
>>> 1. Go to the resonances panel and see if you can find the resonances for these atoms
>>> 2. If they exist and have no peaks attached to them delete them and try again
>>> 3. If they do exist there is a button to show all peaks for the selected resonance, use it to find the peaks and find out why they are at odd shifts, reassign them move them etc
>>> 4. If the peaks exist and are at correct shifts you might need to use the double tolerances button in the assignment window or alter the tolerances for the spectrum to make the assignment possible (we sometimes need this when assigning complexes)
>>>
>>> Gary Thompson & Sarah Blenkin
>>> Yorkshire UK
>>>
>>>
>>> 01924 895408
>>> [log in to unmask]
>>>
>>>> On 10 Apr 2015, at 00:23, CCPNMR automatic digest system <[log in to unmask]> wrote:
>>>>
>>>> There is 1 message totaling 144 lines in this issue.
>>>>
>>>> Topics of the day:
>>>>
>>>> 1. error message: "already assigned to another resonance" doesn't hold
>>>>
>>>> ----------------------------------------------------------------------
>>>>
>>>> Date: Thu, 9 Apr 2015 10:49:06 +0000
>>>> From: Johan Wallerstein <[log in to unmask]>
>>>> Subject: error message: "already assigned to another resonance" doesn't hold
>>>>
>>>> Hi CcpNmr software-team!
>>>>
>>>> Thanks for an amazing product - CcpNmr Analysis - that I have used a lot last 2 years.
>>>> I like it.
>>>> However, I don’t understand what is going on now.
>>>>
>>>> I try to assign, in a C-HSQC experiment, a 114-Leu δ-carbon to the specific peak.
>>>> In Atom Browser-window the 114-Leu Cδa and Cδb are marked as assigned, but they are NOT anywhere in the actual spectra.
>>>> When I click, try to ’force-assign’ I get a message:
>>>>
>>>> ”FAILURE: Atom 114Leu CD2, 114Leu CD1 already assigned to another resonance with different shift:83 at 21.952"
>>>>
>>>> same occur in proton dimension.
>>>>
>>>> I cannot use 'Remove Atom Assignment’-button in the 'Molecule : Atom Browser'-window
>>>>
>>>> and
>>>>
>>>> In terminal, I get message
>>>> ”Exception in Tkinter callback
>>>> Traceback (most recent call last):
>>>> File "/Users/johanw/ccpnmr/python2.7/lib/python2.7/lib-tk/Tkinter.py", line 1532, in __call__
>>>> return self.func(*args)
>>>> File "/Users/johanw/ccpnmr/ccpnmr2.4/python/memops/gui/ScrolledMatrix.py", line 746, in mouseClick
>>>> self.selectCell(row,col)
>>>> File "/Users/johanw/ccpnmr/ccpnmr2.4/python/memops/gui/ScrolledMatrix.py", line 1841, in selectCell
>>>> self.callback(self.currentObject, objRow, objCol)
>>>> File "/Users/johanw/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/popups/BrowseAtoms.py", line 1133, in selectCell
>>>> assignmentPanel.chooseAtoms( object )
>>>> File "/Users/johanw/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/popups/EditAssignment.py", line 1562, in chooseAtoms
>>>> self.assign(atomSetMapping)
>>>> File "/Users/johanw/ccpnmr/ccpnmr2.4/python/ccpnmr/analysis/popups/EditAssignment.py", line 1372, in assign
>>>> resonance = list(atomSetMapping.resonances)[0]
>>>> IndexError: list index out of range"
>>>>
>>>> I have restarted, a couple of times. I am not the most clever guy I know but have been sitting for about one hour trying to solve it…
>>>>
>>>> My guess is the failure is related to my use of a Swiss-made cloud service called Wuala, it has worked very fine until now. (?!)
>>>> I play with this ccpnmr-project on two computers (Home) and (Work).
>>>> The advantage with Wuala, compared to other cloud-services I have used, is that the file-path is the same on both computers.
>>>>
>>>> Best regards
>>>>
>>>> Johan Wallerstein, Sweden
>>>>
>>>>
>>>>
>>>>
>>>>
>>>> ------------------------------
>>>>
>>>> End of CCPNMR Digest - 2 Apr 2015 to 9 Apr 2015 (#2015-46)
>>>> **********************************************************
>
|