Dear All,
I'm trying to import an NMRstar file into an Analysis session (pre-
compiled 2.0.6 on OS X 10.5.6 Intel). I have NH HSQC and HNCO spectra
and I would like to read in a BMRB entry to save me having to manually
assign each peak (or at least to use as a basis for assignment). I
know this is not a new topic - it was addressed back in 2007 (and
perhaps elsewhere too that I haven't seen). The outcome of that
discussion was the following (which I've tried):
>
> 1) reading in the sequence and making a Molecular System first.
>
> 2) Import --> Single File --> Chemical Shifts --> NMRStar
>
> 3) Running link resonances.
>
and
>
> Assuming that I have understood your intentions correctly try:
>
> Crosspeaks::Current Peak Llists: - Synthetic Lists - [Predict From
Shifts]
>
> Then:
>
> Data Analysis::Shift Differences
>
The first part above works fine: I can see the imported shift list in
"Resonances: Resonance Table" under the name I gave the list during
the import. I can also navigate around the spectra from this list
using "Mark Selected" and "Goto Position".
But I can't seem to make a peak list, synthetic or otherwise, that
shows up in either spectrum. I would like to be able to see both the
peaklist I generated for these data (e.g. peaklist 1 and shiftlist 1)
and the one generated from the bmrb entry.
Any ideas?
Thanks in advance
Michael
************************************************************
Dr. Michael J PLEVIN
Laboratoire de RMN
Institut de Biologie Structurale
41, rue Jules Horowitz
Grenoble, 38027
FRANCE
Phone: +33 4 38 78 36 98
Fax: +33 4 38 78 54 94
************************************************************
|