From owner-chemistry@ccl.net Mon Nov 3 21:37:01 2008 From: "Vlad vvv900{=}anusf.anu.edu.au" To: CCL Subject: CCL:G: available user interfaces for g03 Message-Id: <-38021-081103172915-4895-EtCAPjz+f9WC7hfUeBdJ7w^server.ccl.net> X-Original-From: Vlad Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=windows-1251; format=flowed Date: Tue, 04 Nov 2008 09:28:55 +1100 MIME-Version: 1.0 Sent to CCL by: Vlad [vvv900[a]anusf.anu.edu.au] Hi Jonathan, > I am interested in free or inexpensive user interfaces for > Gaussian 03. In the past I have worked with the Molecule (for mac) program > which historically has had a low-cost site license, and I have recently downloaded and installed the free Arguslab 4.0 package. Does anyone know of similar software? Jamberoo (http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/index.html ) can parse and visualize G03 input and output files. In the case of output files, it can animate optimization pathway using interactive charting, animate vibrations, and show displacement vectors. Also, it can show molecular orbitals, electrostatic potential, etc. from g03 cube file. Best wishes, Vlad -- Dr Vladislav Vassiliev Computational Chemist ANU Supercomputer Facility, 56 Leonard Huxley Building, The Australian National University, Canberra ACT 0200 Australia Telephone : +61 2 6125 9694 Fax : +61 2 6125 8199 WWW : http://sf.anu.edu.au/~vvv900/