Thanks. We'll have a go with that script, then. It appears some problems
(assignments not being displayed properly in the spectra) also arose
from the monitor which Daniel was using - slightly weird, as I would
have thought the graphics card would be the one which made or broke
things rather than the monitor. But perhaps one is able to talk to the
computer better than the other.
Vicky
Tim Stevens wrote:
>> I've got a student here who has a problem with a project where new
>> resonances are all created in the 'None' shift list rather than in
>> ShiftList1. However, all experiments are associated with ShiftList1.
>> Closing and re-opening Analysis did not help and there are no error
>> messages in the console. The peaks are just being created in the
>> assignment pop-up, so should be automatically linked to a peak and
>> spectrum - so this isn't an import issue. Any idea what might be causing
>> this?
>>
>
> Vicky,
>
> As you suggest, I think it probably is to do with having an old version
> with an unluckily incomplete set of updates.
>
> All new chemical shifts in Analysis are now created (e.g. when peaks are
> linked to resonances) by "notifier" calls which detect data model changes.
> It is possible that one such call was missing for a brief period when I
> moved to this new, better system.
>
> Analysis will still need updating in the long run, but I think we can sort
> the immediate problem if you paste the following into the Python command
> line (and press <Return> a couple times - it will take a moment to run):
>
> -------------------------------------------------------------------------------
>
> from ccpnmr.Analysis.AssignmentBasic import initResonance
> nmr = top.project.currentNmrProject
> for resonance in nmr.resonances:
> initResonance(resonance)
>
>
> -------------------------------------------------------------------------------
> Dr Tim Stevens Email: [log in to unmask]
> Department of Biochemistry [log in to unmask]
> University of Cambridge Phone: +44 1223 766018 (office)
> 80 Tennis Court Road +44 7816 338275 (mobile)
> Old Addenbrooke's Site +44 1223 364613 (home)
> Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
> United Kingdom http://www.pantonia.co.uk
> -------------------------------------------------------------------------------
> ------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2- -------
> -------------------------------------------------------------------------------
>
>
--
****************************************************
Dr. Victoria A. Higman
Leibniz-Institut fuer Molekulare Pharmakologie (FMP)
NMR-Supported Structural Biology
Robert-Roessle-Str. 10
13125 Berlin
Germany
Phone: +49-30-94793 223
E-mail: [log in to unmask]
****************************************************
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