From owner-chemistry@ccl.net Fri Aug 3 00:30:00 2012 From: "Jason Rigby jason.rigby . monash.edu" To: CCL Subject: CCL:G: visualization of MO,s from GAMESS(US) job Message-Id: <-47308-120802231458-7935-NUhZQ6ttpDQC1FhrZ1KKkA:server.ccl.net> X-Original-From: Jason Rigby Content-Type: multipart/alternative; boundary=f46d0442820e0f18f104c653eeca Date: Fri, 3 Aug 2012 13:14:25 +1000 MIME-Version: 1.0 Sent to CCL by: Jason Rigby [jason.rigby * monash.edu] --f46d0442820e0f18f104c653eeca Content-Type: text/plain; charset=ISO-8859-1 macmolplt is pretty good too http://www.scl.ameslab.gov/MacMolPlt/ On 3 August 2012 02:09, Andrew Yeung andrew.yeung/./chem.tamu.edu < owner-chemistry(a)ccl.net> wrote: > > Sent to CCL by: Andrew Yeung [andrew.yeung(!)chem.tamu.edu] > With Gaussian, my favorite so far has been Avogadro. This program accepts > Gamess too, I believe. > > Avogadro crashes every now and then, but when it works, it's wonderful. If > the basis set is printed, it can generate MOs from log files instead of > fchk files. > > It creates nice pictures when you export it to POV-Ray, and it cleans up > the POV-Ray files if you ask it to. It is also able to generate vector > graphics in the form of pdf, svg, & eps. > > Andrew Yeung > Donald J. Darensbourg Research Group > Department of Chemistry, Texas A&M University > 3255 TAMU > College Station, TX 77843-3255 > > Tel: 979 845 4837 > > On 2012-08-02 4:11 AM, AMBAR BANERJEE ambarpchem^gmail.com wrote: > >> Sent to CCL by: "AMBAR BANERJEE" [ambarpchem....gmail.com] >> >> i was using GAMESS-(US) to do some rhf calculations. i need to visualize >> the MO's using some freely available graphical interface. please help me. >> is it possible to generate gaussian cube files from gamess dat files?> http://www.ccl.net/cgi-bin/**ccl/send_ccl_message http://www.ccl.net/cgi-bin/**ccl/send_ccl_message chemistry/announcements/**conferences/ > > Search Messages: http://www.ccl.net/chemistry/**searchccl/index.shtml http://www.ccl.net/spammers.**txt > > RTFI: http://www.ccl.net/chemistry/**aboutccl/instructions/ > > > --f46d0442820e0f18f104c653eeca Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable macmolplt is pretty good too
http://www.scl.ameslab.gov/MacMolPlt/

On 3 August 2012 02:09, Andrew Yeung andrew.yeung/./chem.tamu.edu <owner-chemistry(a)ccl.net>= ; wrote:

Sent to CCL by: Andrew Yeung [andrew.yeung(!)chem.tamu.edu]
With Gaussian, my favorite so far has been Avogadro. This program accepts G= amess too, I believe.

Avogadro crashes every now and then, but when it works, it's wonderful.= If the basis set is printed, it can generate MOs from log files instead of= fchk files.

It creates nice pictures when you export it to POV-Ray, and it cleans up th= e POV-Ray files if you ask it to. It is also able to generate vector graphi= cs in the form of pdf, svg, & eps.

Andrew Yeung
Donald J. Darensbourg Research Group
Department of Chemistry, Texas A&M University
3255 TAMU
College Station, TX 77843-3255

Tel: 979 845 4837

On 2012-08-02 4:11 AM, AMBAR BANERJEE ambarpchem^gmail.com wrote:
Sent to CCL by: "AMBAR =A0BANERJEE" [ambarpchem....gmail.com]

i was using GAMESS-(US) to do some rhf calculations. i need to visualize th= e MO's using some freely available graphical interface. please help me.= is it possible to generate gaussian cube files from gamess dat files?><= br>



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