Trouble Converting 3D NMR spectra to ucsf for use in POKY

[Tyrone Thames]

Hi,

I have some 3D nmr spectra that I can open in TopSpin, but I want to open in POKY, although they are not currently ucsf files.  I was told there is a way to convert to ucsf, but I'm having trouble finding that option.  

The file structure of the spectra all look like:


Looking around in the POKY menus, I found:

but when I click, I get the following error:


In the POKY binaries folder, I see:

but I guess that is not what the POKY error is referring to?

Also, there is no obvious 3rrr file that I can see in the "pdata" and "1" folders used by TopSpin.  I'm pretty inexperienced with using TopSpin, but comfortable with POKY ucsf files, so maybe there's some preparation on the TopSpin side that I need to do before I can use POKY?

-Thank you in advance,

Tyrone Thames

[Lee, Woonghee]

Tyrone,

 

 

Use those buttons instead.

 

But you must have 3rrr. Using TopSpin for 3D is out of this group’s scope, and I haven’t done it by myself. You can just use NMRPipe in NMRbox.

 

Good luck!

 

Woonghee Lee, I.E.I.P., M.S., Ph.D.

 

Assistant Professor

Department of Chemistry

University of Colorado Denver

1151 Arapahoe St. (Science Bldg.) Rm 4128A (office), Rm 4128 (dry lab), Rm 4133 (wet lab)

Denver, CO 80217-3364, USA

Office: +1-303-315-7672

woongh...@ucdenver.edu

 

https://poky.clas.ucdenver.edu

https://poky.clas.ucdenver.edu/wlee-group

https://clas.ucdenver.edu/chemistry/woonghee-lee

 

Shipping/Mailing Address:

Woonghee Lee

1201 5^th St. UCD CHEM-194

P.O. Box 173364 (USPS)

Denver, CO 80204, USA

 

From: nmr-s...@googlegroups.com <nmr-s...@googlegroups.com> on behalf of Tyrone Thames <tyrone...@gmail.com>
Date: Wednesday, January 24, 2024 at 10:49 AM
To: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: [NMR POKY/SPARKY] Trouble Converting 3D NMR spectra to ucsf for use in POKY

[External Email - Use Caution]

Hi,

I have some 3D nmr spectra that I can open in TopSpin, but I want to open in POKY, although they are not currently ucsf files.  I was told there is a way to convert to ucsf, but I'm having trouble finding that option.  

The file structure of the spectra all look like:

Looking around in the POKY menus, I found:

but when I click, I get the following error:

In the POKY binaries folder, I see:

but I guess that is not what the POKY error is referring to?

Also, there is no obvious 3rrr file that I can see in the "pdata" and "1" folders used by TopSpin.  I'm pretty inexperienced with using TopSpin, but comfortable with POKY ucsf files, so maybe there's some preparation on the TopSpin side that I need to do before I can use POKY?

-Thank you in advance,

Tyrone Thames

--
You received this message because you are subscribed to the Google Groups "NMR POKY/SPARKY USER GROUP" group.
To unsubscribe from this group and stop receiving emails from it, send an email to nmr-sparky+...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/nmr-sparky/6c44f35b-30e1-4252-88d8-7be0d4d43d6dn%40googlegroups.com.

[Tyrone Thames]

Thank you!
I was just taught how to get the 2rr and 3rrr files from TopSpin and using the buttons you mentioned successfully got ucsf files to use.  Thank you!