Subject: Re: [nmr_sparky] Sparky peak list
From: HariniBalaji Thirukonda
Date: Dec 14, 2016

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Hi,
with Peaks2sparky.awk, it does write the peak list but not the assignment. please find below a sample of converted peak list.


[bbml@localhost flya_cara3_re]$ peaks2sparky.awk flya.seq sepio-final.prot HNCA_asn.peaks
                         ?-?-?    8.300  75.582 123.295
                         ?-?-?    8.300  43.878 123.295
                         ?-?-?    8.300  43.787 123.295
                         ?-?-?    8.300  89.794 123.295
                         ?-?-?    8.300  52.374 123.295
                         ?-?-?    8.300  52.578 123.295
                         ?-?-?    8.300  19.121 123.295
                         ?-?-?    8.300  90.673 123.295
                         ?-?-?    8.300  68.635 123.295


here in place of ?-?-?, it should actually write the assignment by flya.

Thanks,
Harini.

On Wed, Dec 14, 2016 at 4:07 PM, Eiso AB eab@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:
 

you can try this link if you want to process the new flya .peaks format.
http://nmr2.chem.uu.nl/~eiso/ bin/peaks2sparky.awk

E

balajiharini@... [nmr_sparky] 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.