Theoretical and computational Chemistry Group
   Home    |   Research   |   Group members   |   Publications   |   Software   |   contact  

About the softwares available on this site

  • The softwares available on this site are free for all academic users.

  • The softwares from this site are available on "as is" basis. They are tested on various platforms as mentioned in the respective documentation/ research articles.

  • We do not take any responsibility of their error-free functioning on your computer system or any consequences arising due to their installation on your computer system.

  • It is understood that these package will be used for the academic purpose only and will not be sold or reditributed by the user. The appropriate credit lines should be included in the publication resulting from the use of this package.

  • By downloading these softwares it is understood that you agree with all the terms and conditions of the fair use of these packages.

  • For any help on using these packages: write an e-mail to with a brief discussion of your problem.


Webprop is a web interface for performing ab initio one-electron property evalulation (at present ESP and ED) along with automatic topography calculation. Click here to explore WEBPROP

UNIVIS-2000: A Comprehensive Molecular Visualization Package

  • Univis-2000 the package developed by Dr. Ajay C. Limaye and supported by Professor Shridhar R. Gadre at Department of Chemistry, University of Pune for modeling medium sized molecules and visualization of molecular scalar functions defined over a regular grid or on a variety of molecular surfaces.

  • Univis-2000 an MS-WINDOW based package package provides essentially all the traditional features of molecular viewing softwares as well as visualization of scalar fields using planar pixel plots, contours, and isosurfaces. A novel feature of UNIVIS-2000 is its ability to create composites of the functions allowing the scientists to quickly view an overall effect of one function over the other.

  • System Requirements: Pentium 133 MHz, Pentium Pro or PII with Windows 95/98, 32MB RAM, 2MB SVGA Video Card

Click here to Download UNIVIS 2000

Latest Development from V. Ganesh

MeTA Studio

MeTA Studio is programmable IDE tailored for a computational chemist. Main features include:
  • A programmable interface through BeanShell

  • Workspace support

  • Visualization and Rendering (through JRman)

  • Support for 3-D scalar field visualization

  • Access to embedded Jmol and its libraries

  • Access to parts or modifications of quantumj and mathutils libraries (hosted on for Quantum Chemical calculations

  • A peer-to-peer networking interface for grouping instances of MeTA studio running on multiple machines to perform varied tasks including computation, rendering and collaboration

  • Read more about MeTA Studio and Download