Subject: CCL:Summary:Followup Visualization

From: TOPPER ROBERT <[email-masked]>
Date: Wed, 22 Jul 1998 17:02:46 -0400 (EDT)

Hello all,
As promised, a summary. Thanks to those who replied!
Robert 

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Robert Q. Topper                       
Asst. Professor of Chemistry            fax:     (212) 353-4341
The Cooper Union                        phone:   (212) 353-4378 
51 Astor Place                          subway:  take the 6 to Astor Place 
New York, NY 10003                               or the N/R to 8th St/NYU
                 http://www.cooper.edu/engineering/chemechem/
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The Cooper Union, established by Peter Cooper in 1859, is a private engineering/
architecture/art college where all students receive full scholarships.
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The Original Question:
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Thanks to Jonathan for his summary.
I am writing to seek clarification one one point.

> 2. Import and display multiple small molecules in various styles (tube,
> wireframe, etc.).

I interpret this feature as the ability to display multiple molecules
in various styles simultaneously. For example; a wireframe model of
a protein surrounded by tube models of water molecules.

What program(s) have this particular feature? This is a useful
thing to be able to do, certainly.

I will be glad to summarize for the list.

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RESPONSES:
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Sender: [email-masked]

I'm pretty sure MOLMOL does this.

Bruce Luxon

=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=
  Bruce A. Luxon, Ph.D
  Associate Professor
  Sealy Center for Structural Biology
  Dept. of Human Biological Chemistry & Genetics
  University of Texas Medical Branch
  Galveston, TX   77555-1157
  (409)747-6802; Fax (409)747-6850
  http://www.hbcg.utmb.edu/  http://www.nmr.utmb.edu/
  mailto:[email-masked]
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=

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From: Sergei Izrailev <[email-masked]>

Dear Dr. Topper:

TOPPER ROBERT wrote:
> I interpret this feature as the ability to display multiple molecules
> in various styles simultaneously. For example; a wireframe model of
> a protein surrounded by tube models of water molecules.
>
> What program(s) have this particular feature? This is a useful
> thing to be able to do, certainly.
>

VMD can do it easily. See http://www.ks.uiuc.edu/Research/vmd/

Sincerely,

Sergei Izrailev
[email-masked]
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Sender: [email-masked]
Organization: Johnson Graduate School of Management
To: TOPPER ROBERT <[email-masked]>

Hey, a guy from Cooper Union!  Pretty cool.  I just found out about
Cooper last night in the context of merit-based free education.  I was
happy to note that they have scientists and engineers as well as
artists.

Anyways, Data Explorer (with the Chemistry modules my old boss worked
on, available from www.tc.cornell.edu/~richard via some link or other)
can do this just fine.  You make a pdb file of all the molec's you want
and select the atoms for each style, shove them through the appropriate
modules (surf, CPK, whatever), presto, all set.

If you don't use something like DX this probably won't be real helpful.

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