Hi Wim,
Thank you for the help. Now I know what I have to do next time. Wouldn't
it be better if one could choose the resonances that are used for
linking explicitly instead of choosing the format? I didn't expect for
example that the program still knows that the other resonance list was
once imported from Sparky.
Christoph
> Hi Christoph,
>
> The problem was that the 'automatic' linking option for the
> formatConverter was trying to link your initial Sparky assignments instead
> of the new XEasy ones - so instead of what you did before:
>
>
>> Run LinkResonances
>> ->Link to NMRresonances
>> ->Default
>> ->Link 1 to range '1'
>> =>LinkResonances ran successfully
>>
>
> Try the following: do not click 'OK' for the 'Default' option - you'll
> then get a more detailed screen where, at the top, you can select 'XEasy'
> instead of 'Sparky' as the format to link. Leave everything 'as is' and
> click 'Link resonances'. That worked for me - it will link the
> XEasy-import-created resonances to the existing ones. In the output you'll
> see things like:
>
> Copying information from [' .82.CA'] to existing single resonance...
> Copying applicationData...
> Copying resonanceGroup...
> Copying shifts...
> Deleting resonance [' .82.CA']...
>
> Let me know if that works for you. I'll make sure that in the next release
> linkResonances in 'automatic' mode selects the format which has the most
> 'unlinked' resonances.
>
> Wim
>
>
--
--------------------------------------------------------------------
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]
--------------------------------------------------------------------
|