Internet technology offers an excellent opportunity for the development of tools by the cooperative effort of various groups and institutions. We have developed a multi-platform software system, Virtual Computational Chemistry Laboratory, http://www.vcclab.org, allowing the computational chemist to perform a comprehensive series of molecular indices/properties calculations and data analysis. The implemented software is based on a three-tier architecture that is one of the standard technologies to provide client-server services on the Internet. The developed software includes several popular programs, including the indices generation program, DRAGON, a 3D structure generator, CORINA, a program to predict lipophilicity and aqueous solubility of chemicals, ALOGPS and others. All these programs are running at the host institutes located in five countries over Europe. In this article we review the main features and statistics of the developed system that can be used as a prototype for academic and industry models.

The quantitative description of ring puckering suggested by the authors is compared with that of Cremer and Pople. The applicability of both methods is discussed for the case of six‐membered rings with the use of model calculations simulating various ring distortions and with the analysis and comparison of puckering parameters computed on the basis of x‐ray data for 40 six‐membered rings in different cyclic structures. The 2N times reduction of the field of variation of puckering parameters for the N‐membered ring is suggested and the algorithm for the renumbering of the ring atoms for this purpose is described for six‐membered rings.

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