- Input File needed for Antechamber
- Draw a molecule or paste MOL, SDF or SMILES via clicking on the blue double-triangle button on the right of the toolbar.
- If add addition file, file and file operation are required
- Additional file operation
- Charge Method explantion
- Atom type and bond type prediction, default is atom and full bond type
- Adjust atom names: yes(y) or no(n), the default is 'y' for 'mol2' and 'ac'
- Net molecular charge (int), the default is 0
- Residue name, if not available in the input file, default is MOL
- Output File Format is used to define the format of output