Starting structure for PONDEROSA calculations

[Anthony Legrand]

Hello,
I would like to refine a structure prediction using NOE data.
It is my first time using PONDEROSA. Is there an option to use a PDB file to provide a starting structure for PONDEROSA calculations?
Regards,

[Lee, Woonghee]

You can add pdb file as a restraint to assist NOE analysis.

--

Woonghee Lee, Ph.D.

Assistant Professor of Chemistry

University of Colorado Denver

woongh...@ucdenver.edu

https://poky.clas.ucdenver.edu

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

Sent from iPhone

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From: pinenmr-u...@googlegroups.com <pinenmr-u...@googlegroups.com> on behalf of Anthony Legrand <anthony.t...@gmail.com>
Sent: Wednesday, March 20, 2024 5:35:36 PM
To: I-PINE/PINE and ssPINE user group <pinenmr-u...@googlegroups.com>
Subject: Starting structure for PONDEROSA calculations

 

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