JavaGrins with SMARTS

Ragu Bharadwaj

Daylight CIS Inc.


SMARTS-enabled JavaGrins addresses some of these problems via usage of a SMARTSTool, that can be used to create SMARTS at any atomic position using predefined templates and logicals to connect them. As shown here, SMARTSTool is basically a tree composer. Predefined template palettes appear on the left and may be dragged and dropped on to the right to compose a parse tree for an atomic SMARTS. At any stage the user may also directly edit the atomic SMARTS or the SMARTS associated with any node in the parse tree.