[gmx-users] geometric center
kay.gottschalk at weizmann.ac.il
Tue Sep 2 16:30:02 CEST 2003
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) -
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
Herzl St. 1
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