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

Previous: 1209 Next: 1211


Thanks. Then, cy should work with *cycle* files as usual.

On Dec 14, 2016 6:30 AM, Eiso AB eab@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:
 

Woonghee Lee woonghee791113@... [nmr_sparky] wrote:
Oh, FLYA has different format than regular CYANA?


yes, instead of the atom nrs now it says e.g. N.13 CA.12 H.13

the cycle*_*.peaks files for the noeassign part still have the numerical
assignments.

E

On Dec 14, 2016 5:42 AM, Woonghee Lee woonghee791113@...
mailto:woonghee791113@gmail. com 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@...
mailto:balajiharini@... [nmr_sparky] nmr_sparky@yahoogroups.com
mailto: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@...
mailto:woonghee791113@gmail. com [nmr_sparky]
nmr_sparky@yahoogroups.com mailto: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@...
mailto:balajiharini@... [nmr_sparky]
nmr_sparky@yahoogroups.com mailto: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.