Subject: MSE_PROP 1.2 release

From: "Kamalakar Jadhav" <[email-masked]>
Date: Wed, 29 Aug 2001 13:56:37 +0000

**** Announcement of release 1.2 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
evalution of molecular properties (MESP, Electron density,etc)
and visulization of the those properties.
              **** Features Added in New Release of MSE_PROP ****
Evaluation and Visualization of Properties:
· Electron Localization Function (ELF).
· Average Ionization Potential / Energy and Molecular Orbitals.
Geometries of intermolecular Complexes
· Molecular Docking (vdW + Electrostatic) and EPIC Method.
Special features Added
· Computation of statistical parameters (average, variance, surface area
etc.) for any property on vdW and user defined surface (e.g. 0.001 au
electron density surface).
· Facility to change atom properties and viewing vibrational frequencies.
· Several new basis-sets added and labeling selected atoms in molecule.
· Online Help, New user manual and tutorial.
* MSE_PROP demo supports molecules up to Seven atoms and full version up
to 150 atoms.
System Requirements: Pentium x,Windows 95/98/NT,64 MB RAM,4 MB SVGA Card
Interested?  For more information and downloading the demo version, go to 
http://www.mahindrabt.com/services/cc_prod.htm

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