VMD-L Mailing List

From: Giovanni Bellesia (giovanni.bellesia_at_ucd.ie)
Date: Thu Feb 10 2005 - 08:00:15 CST

Leyla Celik wrote:

>Hi,
>
>Is it possible to use the TkConsole to measure distances and angles in VMD? I
>have quite a lot of them, and it gets rather trivial to use the "Graphics -
>Labels" each time, especially when it is the same distances for different
>trajectories.
>
>By the way, does anybody know how many frames VMD can read from one dcd-file? It
>kind of crashed with 10000 frames.
>
>Thanks
>Leyla
>
>
>
>
Hi Leyla,
it seems to me you need a tcl script.
My suggestion is to take a look at chapters 8, 10 and 11 of the VMD
user's guide.
Also part1 of the J.K. Ousterhout manual can be useful. (
http://hegel.ittc.ku.edu/topics/tcltk/ )

Then, the best thing to do is to write a tcl script which perform a
statistical analysis of
your measurements (averages, errors, distributions etc.).
You can run it from the tkconsole using the command "source filename.tcl"

Regarding the max number of frames you can read, this strongly depends
from the hardware (RAM and filesystem, basically)
and, as far as I know, does not have anything to do with VMD 

-- 
World Year of Physics 2005
http://www.physics2005.org/
http://www.wyp2005.org/
--
========================================
Giovanni Bellesia
Theory and Computation Group
Department of Chemistry
University College Dublin
Belfield, Dublin 4, Ireland
========================================