From owner-chemistry@ccl.net Wed Mar 2 16:34:00 2011 From: "Christophe Morell cmorell^^ujf-grenoble.fr" To: CCL Subject: CCL:G: software to visualize Gaussian cube files Message-Id: <-44037-110302150552-6049-RZCF51FZ6O/rBzJkAXRXQQ###server.ccl.net> X-Original-From: Christophe Morell Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=windows-1252; format=flowed Date: Wed, 02 Mar 2011 21:05:30 +0100 MIME-Version: 1.0 Sent to CCL by: Christophe Morell [cmorell:-:ujf-grenoble.fr] Hi Neranjan I'm using an old version of molekel (4.3) which works fine with gaussian cub files. In my opinion molekel is one of the best software to visualize gaussian cube and outputs. You can download the latest version for free at : http://molekel.cscs.ch/wiki/pmwiki.php/Main/DownloadBinary best regards, Christophe Morell Neranjan Perera neranjan007^^gmail.com a écrit : > Sent to CCL by: "Neranjan Perera" [neranjan007++gmail.com] > Hi all, > I would like to know is there any software that can be used to visualize gaussian cube files which can show molecular orbitals? > > I am using 09 and tried using gopenmol and molden to visualize but it doesn't work at all. In gopenmol, I created the *.plt file and the *.crd files and tried to visualize it but when i tried to import the *.plt file , the program crashed. > > thanks for the help. > > neranjan> > > > > -- Christophe Morell Directeur des Etudes Formation Continue et Apprentissage _________________________________________________________ Département Mesures Physiques IUT 1 – Quai Claude Bernard 38000 Grenoble (France) tel : 00 (33) 4 76 57 50 27 christophe.morell{=}ujf-grenoble.fr _________________________________________________________ Commissariat à l’Energie Atomique (CEA) INAC/SCIB/LAN 17, Rue des Martyrs 38017 GRENOBLE CEDEX tel : 00 (33) 4 38 78 53 76 christophe.morell{=}cea.fr _________________________________________________________ “Contrary to what is sometimes supposed, the theoretical chemist is not a mathematician, thinking mathematically, but a chemist, thinking chemically.” C.A. Coulson http://inac.cea.fr/scib/Phocea/Pisp/visu.php?id=98&uid=christophe.morell