How to export all assignments into a single .prot file

[Asha Sanjeewani]

Hi Dr. Lee,

After manually validating the backbone and side-chain assignments, how can I export all assignments into a single .prot file for structure calculation? Also, is there a video tutorial for this on your channel?

Thank you

Asha R. A. 

[Lee, Woonghee]

Asha,

That is very simple.

Just “xe”. Or, if you want to integrate structure calculation automatically, “c3”. Output package will have “.prot” as well.

For your information, the latest POKY has AI assistant that you can use through “AI” two-letter code.

Best,

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

 

Associate Professor & Data Science and Chemistry Certificate Program Director

Department of Chemistry

Center for Advanced Computational Molecular Science

University of Colorado Denver

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Office: +1-303-315-7672

woongh...@ucdenver.edu

 

https://poky.clas.ucdenver.edu

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

 

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Woonghee Lee

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From: nmr-s...@googlegroups.com <nmr-s...@googlegroups.com> on behalf of Asha Sanjeewani <asha...@gmail.com>
Date: Tuesday, August 18, 2026 at 3:00 PM
To: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: [NMR POKY/SPARKY] How to export all assignments into a single .prot file

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