Dear Wim,
thank you very much for trying to help. The tar.gz of the project is
send to your private account
> By resonance list do you mean shift list? When importing data using the
> formatConverter, things get complicated when there's already a lot of data
> present - it does, however, try to use as much of the existing data as
> possible. But this process is by no means perfect.
>
> Basically, when you read in a shift list it will first create a new
> ShiftList. It will then try to use existing Resonances - but because the
> atom assignment is basically a string in the XEasy/Cyana format this will
> not work unless Resonances were already 'tagged' with their corresponding
> XEasy name, for example if you started your project by an XEasy import (if
> there is a Resonance match this way, then it will use the existing
> Resonance and create a new Shift for it). Anyway in your case the
> FormatConverter will create new Resonances, which means that then you have
> to run linkResonances to merge these with existing Resonances or link them
> to Atoms. This is a complicated process and things can go wrong.
>
> I can only really have a good look at what's going on if you send me your
> original (pre-Cyana-import) CCPN project and a shift/peak set of the Cyana
> file to import. If you then let me know exactly what you do when importing
> I can figure out where the process derails.
This is what I do (it doesn't matter if I do this by single or combined
files):
In FormatConverter:
Open:project_name.xml
Import:CombinedFiles:...:XEasy
ChemicalShiftFile->project-final.prot
PeakFile -> porject-cycle7.peaks
Read as Cyana File
IMPORT
->new shift list: NAME
->linked to Expt_4
->Existing 3D experiment Expt_4
->Existing Data Source Expt_4
->new peak list: NAME
->exchange Dim2/Dim3
=>Sucessfully imported
Run LinkResonances
->Link to NMRresonances
->Default
->Link 1 to range '1'
=>LinkResonances ran successfully
What I get is a new PeakList with the peaks assigned to a new resonance
for every Shift present in the .prot file but with no AtomAssignments
Christoph
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Christoph Brockmann
Forschungsinstitut fuer Molekulare Pharmakologie (FMP)
Robert Roessle Str. 10
D-13125 BERLIN, Germany
phone: +49-30-94793-223
email: [log in to unmask]
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