VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jul 20 2001 - 10:17:04 CDT

Hi,
  This is a message that bounced (non-member submission) earlier
in the week. The spam filter we've got in place won't allow such
submissions, so I'm forwarding it manually.
  
  John Stone
  johns_at_ks.uiuc.edu

----- Forwarded message from owner-vmd-l_at_ks.uiuc.edu -----

To: vmd-l_at_ks.uiuc.edu
Subject: Modifying a Tcl script
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Hi All,

I wish to use the ca-dist script to get the CA-CA distances for a
molcule. The script plots out the distances beautifully, but I
would like to calculate the difference between the distances in
one molecule and the distances in a second.
Thus it would be really useful to have output in some tabular
form, which I can then plot with another program and manipulate
(for difference maps etc). I really don't know much about Tcl, so
was hoping someone could suggest to me how this could be done
simply i.e what line(s) I would need to add to send the
information in the "dist" 2D array to an external file.

Any help would be much appreciated! Please reply to me directly
as I am not subscribed to the VMD-L mail list.

Thanks,
Samantha

--------------------------------------------------
Samantha Hughes
Department of Chemistry
Imperial College
Exhibition Road
London SW7 2AY
-------------------------------------------------

----- End forwarded message ----- 

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