JavaGrins with SMARTS

Ragu Bharadwaj

Daylight CIS Inc.





The SMARTS in any node in the depicted parse tree may be seen by clicking on the accompanying SMARTS symbol when that tree is selected. Clicking back on the symbol toggles back to the description. Either the description or the SMARTS may be edited by clicking on them in the Atom description tree. Editing the SMARTS will result in a reparsing of the entered SMARTS.

After composing the SMARTS parse tree, clicking the Apply button will transfer the newly composed SMARTS to the atom in the JavaGrins window. The JavaGrins window may contain a molecule or a reaction with SMARTS, thus yielding Molecule or Reaction SMILES.