From chemistry-request@server.ccl.net Thu Jul 20 14:01:46 2000 Received: from medicor.wustl.edu (medicor.wustl.edu [128.252.223.195]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id OAA08536 for ; Thu, 20 Jul 2000 14:01:46 -0400 From: ReichertD@mir.wustl.edu Subject: visualizing data To: chemistry@ccl.net X-Mailer: Lotus Notes Release 5.0.1b September 30, 1999 Message-ID: Date: Thu, 20 Jul 2000 13:01:57 -0500 X-MIMETrack: Serialize by Router on Medicor/Washington University(Release 5.0.2c |February 2, 2000) at 07/20/2000 01:01:59 PM MIME-Version: 1.0 Content-type: text/plain; charset=us-ascii Hi, I'm hoping that the list can provide some recommendations. I'm trying to visualize some output from ab initio calculations (Jaguar in particular) specifically a surface map of charge density from electrostatic fitting(data formatted as x,y,z coords and charge), and plots of electron density and potential. Can anyone recommend software that can do this, preferably for Linux or Irix? I'll summarize if there is any interest. thanks in advance, -david David Reichert, Ph.D. Washington University School of Medicine 510 S. Kingshighway, Campus Box 8225 St Louis, MO 63110 e-mail: reichertd@mir.wustl.edu voice: (314) 362-8461 fax: (314) 362-9940