Hello Kimmo (hope Finland is at the end of winter, the UK is eventually
getting there),
Tim suggests that the first thing to check is that there are actually spin
systems that group the imported resonances. Are there any in the Edit Spin
System table that contain the imported resonances? If not just open the
Assignment --> Initialise Root Spectra dialog and select the HNCO or HSQC
to quickly add them. You are asked to confirm amides. When you are done
with that click "initialise peak list".
Otherwise he suggests sending us the project files (but not the spectra).
Wayne
On Wed, 9 Apr 2008, Kimmo Heinamaki wrote:
> Hi!
>
> I'm currently trying to bring my project into analysis. I've tried newest
> windows and linux versions.
>
> I tested with three spectras (UCSF): HSQC, HNCO and HNcaCO and imported them
> as the format converter tutorial states: create molecule+import sequence,
> import spectra, import peak list. I exported peak lists from Sparky for each
> spectrum, and used format converter to read each of them into Analysis
> (Format converter -> Import -> Single file -> Peaks -> Sparky ). After
> reading peak lists I run Process -> create chemical shift from peaklist(s),
> followed by Process -> run linkresonances. I used automatic settings in link
> resonances.
>
> Every step seemed to work ok, and afterwards I can see the spectra and the
> peaks in them. Also, if I select a peak and open the assignment panel, I get
> the closest resonances in the dialog, which would indicate that there are
> resonances in the Analysis data model. However, the dialog Assigment -> Link
> Seq Spin Systems does not seem to work. I did clone the window which had the
> spectra and selected (in the link seq spin systems dialog) the HNCO into
> original window, and HNcaCO in the cloned window. But there are no spin
> systems at all in the dialog which I could compare and search for neighbours.
> Is there something I should do during/after the peak imports to make the
> link seq spin systems work?
>
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