VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jul 20 2001 - 10:17:04 CDT
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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
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit
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 -----
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
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