VMD-L Mailing List

From: Andres Morales N (andresmoralesn2_at_hotmail.com)
Date: Sat Sep 12 2009 - 12:05:35 CDT

 
Dear all
 
I want to get a matrix that contains coordinates of alpha carbon atoms of a structure, it mean a matrix like the adjoint picture.
I want to put in each row the coordinates (x y z) of all alpha carbon of a frame of dcd file. I have a dcd file with 100 frames, protein I am using has 50 resids, then I need to get a 100 x 150 matrix. First I aligned ths strtures.
 
Are there any script for that? Or does somebody have any idea to do that?
 
Thanks for your suggestions.
 
Andres
 
 
 
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