Dear Simon,
First you should read the assignned shift list in with FormatConverter.
Then it depends on how identical your HSQC spectra are to each other and
to the shift list you read in.
The quickets is likely to be:
- Create a synthetic HSQC peak list with M:Peak:Peak Lists {Synthetic
Lists}
- Use M:Assignment:Copy Assignments {Between Peak Lists} to copy the
assignments across. That popup has various options of wholesale assignment
(within tolerances) or manual check to cater for easy or more overlapped
peaks.
If you have a titration or temperature series you should assign one
spectrum (by whatever means) and then use M:Data Analysis:Follow Shift
Changes to get the rest.
Again, I did not have the test data to try it out first, but I think that
is how it ought to work.
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, 17 Mar 2011, Fowler, Andrew wrote:
> I don't think Format Converter will be able to do this, at least not using
> the file you grabbed from BMRB which contains resonances but probably not
> peaks.
>
> What you could do, if you're remotely handy with any sort of scripting
> language, is pull the chemical shifts for the atoms you want to have peaks
> for out of the NMRStar file, make a synthetic peak list in any format that
> FC can read (NMRPipe and Sparky would both be good choices for me), and
> import that using FC.
>
> Having said that, I don't know if any of the synthetic peak list options
> already in Analysis allow doing something like this directly since I
> haven't really played with them.
>
> Andrew
>
>
> On 3/17/11 7:17 AM, "S.P. Skinner" <[log in to unmask]> wrote:
>
>> I have a set of HSQC spectra, i have picked peaks in the spectra, I now
>> want to use the nmrstar assignment file for the BMRB to assign the peaks
>> I have picked. I have import the .str file using the format converter,
>> imported the molecular sequence, and i have ran link resonances, but
>> that doesn't seem to work, so I guess I want to do option II.
>>
>> Simon
>
>
>
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