VMD-L Mailing List

From: Luis Gracia (lug2002_at_med.cornell.edu)
Date: Thu Apr 14 2005 - 15:44:45 CDT

Hi!

This is a correction to the procs I sent before. I realized some of the
contacts were counted twice. I think the procedures are now more robust.
If you are going to use them, please, make a little test with your
special trajectories and type of analysis before making up any conclusions.

Best,

Luis

Luis Gracia said the following on 04/14/05 13:18:
> 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