From chemistry-request %-% at %-% server.ccl.net Mon Mar 18 11:02:18 2002 Received: from gems.uia.ac.be ([143.169.254.10]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g2IG2Ip03004 for ; Mon, 18 Mar 2002 11:02:18 -0500 Received: from uia.ua.ac.be (pcschc5.uia.ac.be [143.169.6.12]) by gems.uia.ac.be (8.11.6/8.11.6) with ESMTP id g2IG2Bf01728 for ; Mon, 18 Mar 2002 17:02:11 +0100 (MET) Message-ID: <3C960FF2.6D77B1 ^at^ uia.ua.ac.be> Date: Mon, 18 Mar 2002 17:04:02 +0100 From: Anik Peeters Organization: University of Antwerp X-Mailer: Mozilla 4.78 [en] (Windows NT 5.0; U) X-Accept-Language: en MIME-Version: 1.0 To: chemistry.,at,.ccl.net Subject: plotting 3D electron density difference maps Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Scanned-By: MIMEDefang 2.5 Hi there, I am looking for software, preferably freeware, to plot 3D electron density or electron density difference maps for large molecules (appr. 500 atoms). The program may run on a unix workstation or on pc. We have our own programs to calculate the value of the electron density (difference) in the grid points of a given 3D lattice. Therefore, we can generate the results in any format needed, but we do need to know what the input format is for a given plotting program, so therefore we would prefer a program that comes along with its source code or sample input files. We also welcome programs for converting one 3D data set into another. I already donwloaded Molden, but it seems a bit slow when I am looking at our molecular system interactively. Friendly greetings, Dr. Anik Peeters University of Antwerp anik&$at$&uia.ac.be