Virtual computational chemistry laboratory: Internet tool for remote modeling and design in chemical problems

Exploiting electronical networks allows preparing special tools by cooperative effort of different departments and institutions. In proposed report we describe the score of our recent investigations on such issue under INTAS project. The overall objective of this research is to develop multiplatform software allowing the computational chemist to perform a comprehensive series of molecular properties calculations and data analysis on Internet. The proposed software is based on three-tier architecture that is becoming a widespread to provide client-server services over the world. The computational part will be written in C/C++, while the graphical interface will be done in Java. The developed software will be user friendly and will allow a simple incorporation of new modules (including proprietary software) developed by other researches. A unique feature of this system will allow such modules to run at the computers where the software was developed while the calculation results will be available worldwide