Subject: Re: Moving assignment from CCPN to sparky
From: nichtverstehen
Date: Feb 8, 2013

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That peak list looks close to what Sparky will want. The only problems you might have is that Sparky will expect w1 to be 15N and w2 to be 1H, which is more of a problem of ordering the columns than to do with the header. Also, Sparky generally will write the assignment as T31N-HN instead of having the residue assignment twice, but Im not sure that will cause you any problems. Try using the command rp to read in the peak list, and this should generate the peaks on your spectra. If they look like the axes are flip-flopped you will probably need to reverse the order of the columns of 15N and 1H. You can do this through command line with:

gawk {print $1, $3, $2} Nhsqc.list newName.list

You many also then need to at least change the order of the assignment in the name, so that it expects the N assignment first, or else the labeling will certainly be reversed.

Hopefully that helps.

~ Kari

--- In nmr_sparky@yahoogroups.com , Martin Ballaschk wrote:

Dear Sparky users,

after assigning a protein in CCPN I want to move the NH/N assignment of my root spectrum (HSQC) to Sparky. What does it need for that?

* the HSQC spectrum itself: a ucsf file – that was easy to import.
* a resonance list: Im not sure what that is for.
* a peak list?

I managed to load the spectrum and also a resonance list, but the assigned peaks did not (magically) appear in my spectrum. Can I generate peaks from the resonance list? I did not find a function to import a peak list, I guess thatd be all I need. And it would suit me better than generating peaks from the resonance list.

I generated peak lists from CCPNs format converter which have the format:

Assignment w1 w2 Height Volume
T31HN-T31N 9.879 125.768 1.70E+05 1.42E+06
.
.
.

Does that look right?

Any help (also some kind of FAQ/HOWTO) would be heavily appreciated, as Im pretty new to Sparky and dont really know where to start.

Regards,
Martin