Subject: CCL:windows based orbital viewing

From: "Joslyn Kravitz" <jyudenfr_at_umich.edu>
Date: Thu, 4 Dec 2003 15:12:15 -0500

Hello all,
 
Does anyone know of viewing program that can display molecular orbitals
> from Gaussian output? I am looking for something that runs on windows
and preferably is free.
 
Thanks,
Joslyn Kravitz

---

From: "Kadir Diri" <kadir.-at-.visual1.chem.pitt.edu>
Date: Thu, 4 Dec 2003 19:44:27 -0500

Dear Joslyn,

Molden can display molecular orbitals generated by Gaussian, Molpro and probably the other popular programs. However even the windows version of Molden requires an x server. There should be some trial versions of free x servers. Alternatively, Cygwin is free and has an x server.
Gopenmol should also be able to plot orbitals.
The program that I like for Gaussian outputs is Gausview, however it is not free.
You can check the web sites for these packages for the details. There might be many other programs as well, these are the ones I know.
Regards,

Kadir

  ----- Original Message ----- 
  From: Joslyn Kravitz 
  To: chemistry.-at-.ccl.net 
  Sent: Thursday, December 04, 2003 3:12 PM
  Subject: CCL:windows based orbital viewing

  Hello all,

  Does anyone know of viewing program that can display molecular orbitals from Gaussian output? I am looking for something that runs on windows and preferably is free.

  Thanks,

  Joslyn Kravitz

---

From: "Joseph Han" <josephh.-at-.stanford.edu>
Date: Thu, 4 Dec 2003 13:35:48 -0800

In our work, we mainly use Molden.  It is free.  It is available on many
platforms (including Windows).  Additionally, not only can it display
orbitals, but Molden can also export orbitals into POV-Ray, VRML, or
it's own OpenGL viewer.  To use it on Windows, you will need an
X-Windows Server for Windows.  

http://www.cmbi.kun.nl/~schaft/molden/molden.html

I have also heard that Chem3D can display orbitals from a Gaussian
formatted checkpoint file, though I have never done so myself.

Joseph Han
Department of Chemical Engineering
Stanford University
650-723-0420
FAX:  650-725-7294

---

From: "William F. Polik" <polik:at:hope.edu>
Date: Thu, 04 Dec 2003 20:35:50 -0500

Joslyn,

At 03:12 PM 12/4/2003, "Joslyn Kravitz" <jyudenfr:at:umich.edu> wrote:
>from Gaussian output? I am looking for something that runs on windows and 
>preferably is free.

WebMO is a free web-based interface to several computational chemistry 
programs:  Gaussian, Mopac, Gamess, and Molpro.  The professional version, 
WebMO Pro, has a windows-based molecular orbital viewer, MOViewer, that 
allows you to view MO's that were calculated by any of the supported 
programs.  MOViewer also displays isosurfaces, electrostatic potentials, 
and electrophilic/nucleophilic frontier surfaces.

For general information, see the WebMO homepage at
      www.webmo.net
A working demo (no download or installation required, since WebMO is 
web-based) is available at
      www.webmo.net/demo
Color brochures are at
      http://www.webmo.net/download/WebMO_Brochure.pdf
      http://www.webmo.net/download/WebMOPro_Brochure.pdf

Will Polik