MM 3 Mol e c u Lar Mechanics
Create input file for MM3 Molecular Mechanics Calculations       Help

Step 1: Draw your structure in the editor or type in the Smiles string in the dialog box:
     If you draw your structure use the Edit menu to:     If you use Smiles input, click on Convert to 3D:


    or Smiles:   

Step 2: Generate the MM3 input file from the structure editor:
    Using Delocalized-pi calculation:     Using Automatic Type Assignments in MM3:

MM3 Input File:

Step 3: Submit the input to the MM3 molecular mechanics program:

Here is the Molfile if you need it for other purposes:

Help: