Dear Brian,
When you need to store program specific information like nmrdraw.
clusterID, we recommend using the applicationData attribute that was
intended for this purpose. This is an object with
application,keyword,.value attributes. Packing this kind of information
into existing text fields is genrally asking for trouble.
Yours,
Rasmus
---------------------------------------------------------------------------
Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Thu, 7 Feb 2008, Brian Smith wrote:
> On Wed, 6 Feb 2008, Johnny Eugene Croy wrote:
>
> > 3. Is there anyway to get analysis to assign groups of peaks (akin to the
> > ClustID found in nmrDraw). I don't know if analysis has any such use for
> > this, but it will be nice to have as nLin uses these ID's to simultaneously
> > fit clustered peaks. There is a tcl macro in nmrDraw called clustTab.tcl
> > that works okay, but really requires close (and often time consuming)
> > inspection by hand after running. It would be nice to have these from
> > analysis (if possible).
>
> In nmrDraw clusters roughly map to analysis/data model spin systems for
> assigned peaks, at least for this purpose. The problem is in storing the
> mapping between spin sytem and cluster. I can't remember the constraints
> on cluster numbering. As far as I remember formatConverter knows about
> clustIDs but we need to figure how to map these to spin systems in the
> data model. In principle I guess this could be done at the level of a
> spin system annotation string (nmrdraw.clustid=X) that could be parsed by
> formatConverter? Of course it would be nice to make this a two way
> process for peak checking and and reimport of the linewidths. Any thoughts
> Wim?
>
> > I tried the suggested peak decay trick, but to no avail.
>
> Where did it fall down for you? Did the code snippet not work in
> analysis, the linewidths not make it out into the nmrDraw table, or
> nmrDraw not like the linewidths when they were there?
>
> Brian
>
> --
> Dr. Brian O. Smith ---------------------- B Smith at bio gla ac uk
> Division of Biochemistry & Molecular Biology,
> Institute Biomedical & Life Sciences,
> Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
> Tel: 0141 330 5167/6459/3089 Fax: 0141 330 8640
>
|