[gmx-users] geometric center

[Kay Gottschalk]

You might want to write a perl script or something. it's quite easy: 
read in all the coordinates, and then take for x(center) = (x(max) - 
x(min)) /2;
K.

On Tuesday, September 2, 2003, at 05:26 PM, Dastmalchi wrote:

> Dear All,
>  
> How can I calculate the geometric center for part of a protein 
> structure. I have crated index.ndx file for the interested residues, 
> but don't know what is the command to calculate the geometric center 
> for these residues.
>  
> Many thanks for your help in advance.
>  
> Cheers, Siavoush
>
Dr. Kay-E. Gottschalk
Department of Biological Chemistry
Weizmann Institute of Science
Tel: ++972-8-9343639
Herzl St. 1
Rehovot 76100
Israel
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