Structure Checker : Substructure Checker

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 substructure_nitro substructure_fixed


Note: This checker is available only in JChem. The checker can also be accessed from MarvinSketch if MarvinSketch is run from the JChem\bin folder (e.g, c:\Program Files\ChemAxon\Jchem\bin\msketch.bat).