From owner-chemistry@ccl.net Sat Jun 24 00:52:00 2006
From: "S Lam chsue2004|,|yahoo.com" <owner-chemistry.:.server.ccl.net>
To: CCL
Subject: CCL:G: Laplacian plot of the electron density
Message-Id: <-32003-060624004405-13126-hARseWpf0c1vtb4MZKx9uA.:.server.ccl.net>
X-Original-From: "S  Lam" <chsue2004]_[yahoo.com>
Date: Sat, 24 Jun 2006 00:44:01 -0400


Sent to CCL by: "S  Lam" [chsue2004- -yahoo.com]
Hi,

Is there any free program can display the Laplacian of the electron density from the gaussian output?

Thanks,
S Lam


From owner-chemistry@ccl.net Sat Jun 24 11:22:00 2006
From: "Nuno A. G. Bandeira nuno.bandeira%a%ist.utl.pt" <owner-chemistry|,|server.ccl.net>
To: CCL
Subject: CCL:G: Laplacian plot of the electron density
Message-Id: <-32004-060624112056-2269-9vgTfJ+VyfGA+13f9hDsdw|,|server.ccl.net>
X-Original-From: "Nuno A. G. Bandeira" <nuno.bandeira=ist.utl.pt>
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Date: Sat, 24 Jun 2006 16:20:44 +0100
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Sent to CCL by: "Nuno A. G. Bandeira" [nuno.bandeira|,|ist.utl.pt]
S Lam chsue2004|,|yahoo.com wrote:

> Sent to CCL by: "S  Lam" [chsue2004- -yahoo.com]
> Hi,
> 
> Is there any free program can display the Laplacian of the electron density from the gaussian output?

Yes. There's Dgrid and Basin which you can download from my website below.

Regards,

-- 
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student ]![ IST,Lisbon
--


From owner-chemistry@ccl.net Sat Jun 24 19:26:01 2006
From: "james vivian jamestvivian---msn.com" <owner-chemistry(-)server.ccl.net>
To: CCL
Subject: CCL: Free conformer generators
Message-Id: <-32005-060623211308-15915-zzDIj9zYjFmIxcV1uY6b2Q(-)server.ccl.net>
X-Original-From: "james vivian" <jamestvivian\a/msn.com>
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Date: Fri, 23 Jun 2006 21:13:54 -0400
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Sent to CCL by: "james vivian" [jamestvivian]*[msn.com]



You could use Omega...it's free to academics and probably to employees of
OpenEye .-)

ConCOORD might be another option
http://www.mpibpc.gwdg.de/groups/de_groot/concoord/

(binaries available & old source).

Or genconf/GROMACS.

Cheers!



> -----Original Message-----
> From: owner-chemistry---ccl.net [mailto:owner-chemistry---ccl.net]
> Sent: Friday, June 23, 2006 6:00 PM
> To: Vivian, James T 
> Subject: CCL: Free conformer generators
> 
> Sent to CCL by: "Paul  Hawkins" [phawkins|*|eyesopen.com]
> All,
> 
> After some fruitless time with Google I turn to the Wisdom of Crowds. Can
> anyone suggest a free conformer generator that I can download? Any
> suggestions gratefully accepted.
> 
> Thanks,
> 
> Paul.> 
>