Hi Venkatesh,
> I just wanted to create a Sparky peak list from BMRB chemical shift
> information.
> That's was all I wanted to do.
You can read BMRB chemical shift information:
1. Create a project (Project->New)
2. Type in a name for the project, press OK
3. Call popup to import the NMR-STAR file (Import->Single files-
>Project file->NmrStar)
4. Select your BMRB NMR-STAR file (click on 'Select file').
5. Click on 'Additional options', and select the 'Minimal
interaction' button.
5. Press IMPORT
6. After a slight delay, you should get a popup. Press OK
7. Another popup appears, press YES
8. Another popup, YES again
9. A popup should appear to link sequence information. Click on 'Do
not link' and select the top option (something like 'Link to code
'XXXX'').
10. Press OK
11. Press OK
Then you can export to Sparky format from Export->Sparky.
Making a peak list is possible, but depends a lot on the type of
spectrum you are trying to make a peak list for. It's easy enough for
a 15N HSQC, pretty much impossible for NOESY spectra unless you've
got structure coordinates.
The CcpNmr Analysis program might have some options to do this though
- Tim?
Bye,
Wim
|