Substructure

    • Checker searches for SMARTS defined substructures. Substructure Checkers can be set individually.

    • Fixer: when the substructure is specified as reaction SMARTS or SMIRKS, the checker works as fixer as well.

      Example :

      Substructure Checker Warning: Fix
      O=N=O>>[O-][N+]=O
      Checker setting : SMARTS: O=N=O>>[O-][N+]=O images/download/attachments/1806520/ex_sub_ch.png substructure_nitro images/download/attachments/1806520/ex_sub_f.png substructure_fixed

      Note : You can rename "substructure checker" in Structure Checker GUI. Click on the name field of the configured checker and rename it by typing a new name. For example, you can name it as Nitro Checker.

    images/download/attachments/1806520/substructure_checker.jpg