Anaconda enables users to compare molecules by providing an interactive graphical method for the display and comparison of surface properties. Comparison of the structures and properties of a series of known active drug compounds can often result in the definition of the pharmacophoric pattern when the structure of the receptor is unknown. The method involves projecting the surface property of a molecule onto a sphere using the "Gnomonic projection" technique. The projection of properties and their differences can be represented as different colors on the spherical surface or as modifications to the shape of the sphere itself.
Ron George
Executive Vice President Oxford Molecular, Inc. 7005 Backlick Court Suite 200 Springfield, VA 22151 USA 703-658-4854 fax:703-658-4887