Subject: Re: [nmr_sparky] Re: how generate peak list from .str file of BMRB
From: Woonghee Lee
Date: Jun 25, 2015

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Great!

Because you have already loaded chemical shifts by rl, so it worked
fine. Probably you dont have _s tags, right?

You can type BMRB code at the bottom of ta window where you see BMRB
and Browse button.

Cheers,
Woonghee

On Thu, 2015-06-25 at 18:15 -0400, Guowei Yin puppyg.ruc@...
[nmr_sparky] wrote:

Yes, it just works too here, even without typing BMRB code(dont know
where to type). I clicked simulate or transfer, both worked.

On Thursday, June 25, 2015, Woonghee Lee woonghee791113@...
[nmr_sparky] nmr_sparky@yahoogroups.com wrote:



Honestly, my memory is faint.
In the video, I did not use sequence file at all.
Also, I just tested with any ucsf file and any BMRB code, it
works
without sequence file.

Here is what I just did,

1. Run sparky
2. Open N-HSQC ucsf file (or save file)
3. ta
4. Set spectrum and type
5. Type 6452 in BMRB (that means BMRB code 6452... You can
select a file
instead).
6. Click simulate.

It works okay. 82 peaks generated.

Let me know if does not work.

Best,
Woonghee

On Thu, 2015-06-25 at 17:44 -0400, Guowei Yin
puppyg.ruc@...
[nmr_sparky] wrote:

Thanks.Sounds like for each way I need to load the sequence
file.


Im preparing sequence file, it requires 3-letter code
sequence
file. Could you tell which format I should use for?

2015-06-25 16:55 GMT-04:00 Woonghee Lee
woonghee791113@...
[nmr_sparky] nmr_sparky@yahoogroups.com :

I forgot mentioning direct local BMRB file selection in that
box is
doable as well.

Woonghee

On Thu, 2015-06-25 at 16:41 -0400, Guowei Yin
puppyg.ruc@...


[nmr_sparky] wrote:

Woonghee,


Thank you. by ta, I chose type N-HSQC, then click
untage, “simulate” ,  it shows no peaks populated.
Whats wrong
with this?




By the way it looks like at the bottom of that window we
can
directly
read BMRB file, how this gonna work?


Thank you,
Guowei

2015-06-25 15:58 GMT-04:00 Woonghee Lee
woonghee791113@...
[nmr_sparky] nmr_sparky@yahoogroups.com :

Hi Guowei,

By using two-letter-code ta in NMRFAM-Sparky, you can
simulate peaks
in the Superfast assignment dialog.
You need to detach _s (meaning the peak is simualted) by
ut (untag)
or cu (center and untag).

Best,
Woonghee

On Thu, 2015-06-25 at 15:45 -0400, Guowei Yin
puppyg.ruc@...


[nmr_sparky] wrote:

Hi all,


The new Sparky could convert .str file (NMR-STAR v3.1)
to
Sparky
resonance list. I can load this list by command rl.
But,
to use the
assignment downloaded from BMRB, I still need to
generate
a
peak list
which I could use to create peaks in Sparky. Could you
anyone tell me
how to do it? Thank you.


Best,
Guowei