Re: Issues with XEASY file format in Poky

[Abhishek Bastiray]

Dear Prof. Lee,

I am trying to generate a XEASY (.prot) file in Poky. I have not assigned side chain carbon (C) and protons (H) in my spectra but the generated file the fields for them seem to be automatically populated with a random value (999.999). Is there any way I can get rid of the chemical shift for side chain carbons and protons.

Thank you.

Regards,

Abhishek

[Lee, Woonghee]

Hi,

In the Poky notepad (Pn), File -> Poky Script -> Find Additional … -> Search “keyword”. There’s a new Poky Notepad script “remove_lines_with_keyword_script.py”. You can use 999 as the keyword to detect lines to delete.

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

 

Assistant Professor & Data Science and Chemistry Certificate Program Director

Department of Chemistry

Center for Advanced Computational Molecular Science

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

https://clas.ucdenver.edu/chemistry/data-science-and-chemistry-certificate

 

Shipping/Mailing Address:

Woonghee Lee

1201 5^th St. UCD CHEM-194

P.O. Box 173364 (USPS)

Denver, CO 80204, USA

From: 'Abhishek Bastiray' via NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Date: Friday, January 9, 2026 at 1:24 PM
To: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: [NMR POKY/SPARKY] Re: Issues with XEASY file format in Poky

[External Email - Use Caution]

--
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 visit https://groups.google.com/d/msgid/nmr-sparky/9cbef661-96b3-4d9a-a393-b4c46c7b4bd2n%40googlegroups.com.

[Abhishek Bastiray]

Thank you Prof. Lee. It worked, I was able to remove the lines using the above mentioned script.

Sincerely,

Abhishek

On Fri, Jan 9, 2026 at 2:37 PM Lee, Woonghee <WOONGH...@ucdenver.edu> wrote:

	This Message is From an External Sender This message came from outside your organization