Subject: Re: [nmr_sparky] Assignments
From: Mandar T. Naik
Date: Oct 13, 2006

Previous: 223

Hi Betty,
Open both N and C edited spectra in the same sparky session and save it as aSparky project. This will create a combined resonance list. Now use xe to write the combined.prot file and two .peaks files. If you used pseudo atomnamesaccording to Sparky (IUPAC)nomenclature, then replace all M to Q in any text editor (pseudo M for methyls is written as Q in xeasy, e.g. Ala MB is QB).
Guessing suggests matching resonances from the resonance listwithin the tolerance defined in the dialogue. You will still have to select the correct resonance manually, thats a lot of mouse clicking. Cyana will do the sameautomatically for you. You can always crosscheck Cyanas assignments by back importing cyacle7*.peaks to Sparky. For this to work best, make sure both your spectra are properly calibrated with respect to proton axis.
Best regards
-mandar
----- Original Message -----
From: Betty Swanson
To: nmr_sparky@yahoogroups.com
Sent: Saturday, October 14, 2006 9:09 AM
Subject: [nmr_sparky] Assignments

Dear Sparky users,
I am new to SPARKY and need desperate help with these problems:
I have partially assigned 15N-edited NOESY spectra and would like to use my preliminary assignments to assign other peaks in the spectrum. Can any body tell me how “Guessing…” in Assignment window works?
I have also assigned several peaks in 13C-edited spectra (folded). I want to import proton chemical shifts and peak volumes (obtained using xe) from 15N-edited spectra and 13-C edited spectra into CYANA. I have created two proton chemical shift files and peak files, one for 15N and the other for 13C spectra. CYANA does not accept two different proton chemical shift files. How can I solve this problem?
Thanks,
Betty Swanson


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