Subject: Re: [nmr_sparky] Sparky peak list
From: Woonghee Lee
Date: Dec 14, 2016

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Oh, FLYA has different format than regular CYANA? 

On Dec 14, 2016 5:42 AM, Woonghee Lee woonghee791113@... wrote:
Did you use peak lists with cycle7 in the file name? At the same time, I recommend you running ponderosa c3 to acquire assigned peak list in sparky format.

Woonghee

On Dec 14, 2016 1:57 AM, BalajiHarini Thirukonda balajiharini@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:
 

Dear Wong,
Thanks for the prompt reply. cy command does generate peaklist from Cyana calaculation but it is not assigned. Since I am using FLYA to auto assign my spectra I would like to get to see my spectra assigned. 

Thanks
Harini 

Sent from my iPhone

On 14 Dec 2016, at 1:58 PM, Woonghee Lee woonghee791113@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:

 

Hi,

You can use cy to read cyana results in.
Please post again if it does not work

Best,
Woonghee

On Dec 13, 2016 11:55 PM, balajiharini@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:
 

Dear Wong,

I could successfully run the automated structure calculation using CYANA FLYA by picking peaks using sparky. Now i would like to assign the spectrum based on the assignments made by flya. I tried using peaks2sparky.awk script, it does generate the peak list but there is no assignment in there.
 for example., if the assigned peak is
 2   8.142 120.184 0 U   5.500E+00  0.000E+00 - 0 H.78      N.78 #MAP     83
 then after using script, it says
   -    8.142 120.184, jus the peak, without assignment.
if i load this using rp, then i can see only the peak not assignment. how to do this.

thanks,
harini.