On 2 May 2018, at 16:20, Sarah Bowman <[log in to unmask]> wrote:

Hi Mike,

 

Here is a link to a current NSD calculator for heme distortions from planarity available online from the Liptak Group in Vermont:

 

http://mliptak.w3.uvm.edu/nsd.html

 

This uses the method originally developed by Shelnutt.

 

Hope that helps!

Sarah

 

 

Sarah EJ Bowman, PhD

 

High-Throughput Crystallization Screening Center

Hauptman-Woodward Medical Research Institute

www.getacrystal.com

 

[log in to unmask]
716-898-8623

 

From: CCP4 bulletin board <[log in to unmask]> on behalf of "Hough, Mike" <[log in to unmask]>
Reply-To: "Hough, Mike" <[log in to unmask]>
Date: Wednesday, May 2, 2018 at 11:14 AM
To: "[log in to unmask]" <[log in to unmask]>
Subject: normal-coordinate structural decomposition (NSD) server?

 

Dear CCP4bbers,

 

I would like to analyse the out of plane distortions in a heme protein structure using the normal-coordinate structural decomposition (NSD) method. This would be a way to assess e.g. ruffling and saddling distortions. At one point this was available via a

web server at: http://jasheln.unm.edu/jasheln/content/nsd/nsd__welcome.htm

 

 

but this no longer seems to be active. 

 

Is anyone aware if there is a new home for the server or alternatively a source of the program used?

 

Many thanks,

 

Mike