VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jul 05 2004 - 14:31:03 CDT

Hi,
  There's a short introduction to doing this type of calcualtion
using the VMD scripting interface in the VMD user's guide, try out
the examples shown therein, and we can help if you have specific
questions not coverdd in the documentation:
  http://www.ks.uiuc.edu/Research/vmd/current/ug/node176.html

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Jul 01, 2004 at 06:57:28PM +0800, ying xiong wrote:
> Dear sir,
> If I want to calculate the coodination number of some atom for each picosecond (or frame), could you please tell me how to write a script to realize it? Of course, the coordination number of A atom can be calculated with the criterion: if the distance between A and an atom is shorter than a distance value (say 2.2, 2.3 or 2.4 or 2.5 angstrom), then we can consider the atom coordinating to A.
>
>
> Thanks !
>
>
> 　　　　　　　　ying xiong
> 　　　　　　　　yxiong_at_mail.ccnu.edu.cn
> 　　　　　　　　　　2004-07-01
>
>
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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