From chemistry-request@server.ccl.net Mon Mar 5 23:40:38 2001 Received: from shardagate.mahindrabt.com (root@[206.102.1.162]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f264eaw15928 for ; Mon, 5 Mar 2001 23:40:36 -0500 Received: from intranet.sharda.mahindrabt.com (root@intranet.sharda.mahindrabt.com [10.5.0.15]) by shardagate.mahindrabt.com (8.9.3/8.9.3/SuSE Linux 8.9.3-0.1) with ESMTP id KAA19423 for ; Tue, 6 Mar 2001 10:10:33 +0530 Received: from mahindrabt.com ([10.5.2.39]) by intranet.sharda.mahindrabt.com (8.9.3/8.9.3) with ESMTP id KAA03598 for ; Tue, 6 Mar 2001 10:10:14 +0530 Message-ID: <3AA4686A.EF2F0152@mahindrabt.com> Date: Tue, 06 Mar 2001 10:02:42 +0530 From: "Dr. Sudhir A. Kulkarni" Organization: Mahindra British Telecom Limited To: chemistry@ccl.net Subject: MSE_PROP release 1.0 Announcement of release 1.0 of MSE_PROP MSE_PROP is a program for analysis of wavefunction (obtained from Gaussian 94/98, GAMESS or other ab-initio programs) that allows * Calculation of properties over a 3D grid & vdW surface for - Electron density, Laplacian of Electron density, Electrostatic potential, Electric field * Locating the Critcal points of - Electron density, Electrostatic potential(manual and automated option) including MEP minima * Calculation of useful electrostatic descriptors for QSAR/QSPR * Calculating electrostatic potential using atomic charges * Allows visualization of Scalar fields (with user friendly GUI) - Pixel plots, Contours, Iso-surfaces, Texturing of vdW surface or user defined surface by scalar field of choice - Visualization of vibrational modes (if frequency analysis is available) - Storing graphical output as VRML scene graph Minimum System Requirements: -Pentium x,Windows 95/98/NT,32 MB RAM,2 MB SVGA VideoCard Interested? Download the demo version (with tutorial) from: http://www.mahindrabt.com/mse_prop.htm