Re: RDC value prediction using Poky?

[Lee, Woonghee]

Dear YiTing,

 

Once you get the structure calculated, you can see RDC agreement to your structure in Poky Analyzer. Right-click on the grid in the main window, then you will see “Show RDC Analysis” popup menu items. If you wish to use different PDB file not from your structure calculation, calcTensor of XPLOR-NIH can be used independently.

https://nmr.cit.nih.gov/xplor-nih/doc/current/helperPrograms/calcTensor.html

 

Best,

Woonghee   

 

--

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

 

Assistant Professor

Department of Chemistry

University of Colorado Denver

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woongh...@ucdenver.edu

 

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Woonghee Lee

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From: Yiting Paung <yiting...@stonybrook.edu>
Date: Friday, January 28, 2022 at 10:20 AM
To: "Lee, Woonghee" <WOONGH...@UCDENVER.EDU>, Markus Seeliger <markus....@stonybrook.edu>
Subject: RDC value prediction using Poky?

 

[External Email - Use Caution]

Dear Dr. Lee,

    Hi, Thank you so much for all the help previously. I was able to calculate my RDC value nicely using Poky. I would also like to compare my RDC value to the prediction.

    I am wondering if there is a plugin function in Poky or Sparky for RDC value prediction based on the PDB structure (NMR/Crystal/Prediction)?  

    Thank you so much.

 

Best, YiTing

[Yiting Paung]

Thank you so much for the clarification!