MSE_PROP release 1.0
- From: "Dr. Sudhir A. Kulkarni" <sudhirk # - at - #
mahindrabt.com>
- Organization: Mahindra British Telecom Limited
- Subject: MSE_PROP release 1.0
- Date: Tue, 06 Mar 2001 10:02:42 +0530
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