From owner-chemistry@ccl.net Wed Jul 29 23:43:00 2009 From: "Geoffrey Hutchison geoffh#,#pitt.edu" To: CCL Subject: CCL:G: Avogadro software Message-Id: <-39880-090729212754-25710-KFORwj1j1ucUP9+qDZm2qA=server.ccl.net> X-Original-From: Geoffrey Hutchison Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; format=flowed; delsp=yes Date: Wed, 29 Jul 2009 20:54:58 -0400 Mime-Version: 1.0 (Apple Message framework v935.3) Sent to CCL by: Geoffrey Hutchison [geoffh**pitt.edu] > I am trying to use Avogadro visualization software to open .fchk > file from gaussian 03. But it can not plot the orbitals, First off, there's no need to add a special IOp to read an .fchk file. Avogadro can read orbitals from any fchk file. Avogadro has its own mailing list (avogadro-discuss _-_ lists.sourceforge.net) https://lists.sourceforge.net/mailman/listinfo/avogadro-discuss We also have an open bug tracker. In this case, it would help to know the version of Avogadro you're using (e.g., are you using the latest) and ideally if you can submit the exact fchk file. https://sourceforge.net/tracker/?group_id=165310&atid=835077 Cheers, -Geoff --- Prof. Geoffrey Hutchison Assistant Professor, Department of Chemistry University of Pittsburgh http://hutchison.chem.pitt.edu/ Office: (412) 648-0492