JavaGrins with SMARTS

Ragu Bharadwaj

Daylight CIS Inc.





Select SMARTS from the Mode menu to enter SMARTS Mode. To transfer the SMARTS for a drawn structure to the invoking form select Grins->SMARTS from the File menu. 

To edit the SMARTS for an atom click the symbol  from the icons below the menu in SMARTS mode and then select the atom. The clock cursor appears for a while, while the SMARTSTool is being created for the first time. The Atom SMARTS may be textually edited either at the textfield on the atom or in the SMARTSTool. The SMARTS may alternately be graphically composed by dragging and dropping templates from the Template Palette onto the Atom Description tree, and altering the logicals connecting the templates. The logicals can be toggled between OR and AND by clicking on them.