VMD-L Mailing List

From: Luis Gracia (lug2002_at_med.cornell.edu)
Date: Thu Apr 14 2005 - 12:18:00 CDT

Hi Michel,

Here are a couple of procs that calculate the distance between two
selections, i.e. CA-CA, and count the number of hits below a threshold.
The data is output in a matrix form. conseg1 is for distances within one
molecule (or trajectory), conseg2 for distances between two molecules
(or trajs).

Luis

PS: the basics.tcl contains some routines needed by contacts.vmd 

-- 
Luis Gracia, PhD
Department of Physiology & Biophysics
Weill Medical College of Cornell University
1300 York Avenue, Box 75
New York, NY 10021
Tel: (212) 746-6375
Fax: (212) 746-8690
lug2002_at_med.cornell.edu
Michel Espinoza-Fonseca said the following on 04/13/05 19:31:
> Hi all,
> 
>  
> 
> I have a very tiny question. Does anybody know how to calculate the
> CA-CA distances between two different residues on a trajectory? I’m
> trying to figure out how to do it, but I don’t find the way… All
> comments are welcome!
> 
> Peace,
> 
> Michel