ADFinput drawing area
Import Coordinates: Select File → Import Coordinates ....
Add atom: Select an atom-tool by clicking on the button with the 'C', 'O', 'N', 'H', 'Cl', or 'X' (popup menu showing all elements).
Click somewhere in the drawing area to draw the atom.
Add hydrogens: Select Edit → Add Hydrogen.
Add structure: Select a structure from the Structures' Menu (the button with a benzene molecule).
Click somewhere in the drawing area to place the structure. Double-click on an atom to replace it with the
structure. Use the atom pop-up menu to replace all atoms in a selection by structures.
Predefined Structures can be found for:
Alkyl Chains, Aromatic Molecules, Cyclic Hydrocarbons, Ligands, Polyhedra, Amino Acids, parts of DNA, Metal Complexes, Solvents.
Change atom (bond) type: Press and hold the Right mouse button on the atom (bond).
Select 'Change atom(s) type' ('Type') from the popup Menu.
Guess bonds: Select Edit → Guess bonds.
Delete atoms: Select the atoms. Press the backspace key.
Edit commands: Select 'Copy', 'Paste', 'Select ...', etc. from the 'Edit' Menu.
Undo: Select Edit → Undo to go back in time.
Pre-optimization of the geometry
ADFinput: Click on the Optimizer button (the gear button).
If the DFTB parameters and/or MOPAC have been installed correctly, click on 'Preferences' from the 'Edit Menu',
select the 'Pre-Optimizer' Menu, and select the desired method for pre-optimization (such as DFTB, MM, Mopac, Open Babel).
Whether or not the requested method works, depends also on whether the requested program has been installed or whether
or not the required parameter files are present.
Alternative: select such method from the 'Method' Menu.
ADFUsersGuide: DFTB [1]
ADFGUIReference: preoptimizers [1]
