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== '''Build the molecule''' == ADFinput drawing area Import Coordinates: Select 'Import Coordinates ...' from the 'File' Menu. Add atom: Select an atom-tool by clicking on the button with the 'C', 'O', 'N', 'H', 'Cl', or '>'. Click somewhere in the drawing area to draw the atom. Add hydrogens: Select 'Add Hydrogen' from the 'Edit' Menu. http://www.scm.com/Doc/Doc2007.01/ADFGUI/ADFGUI_quickreference/print.html 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 'Guess bonds' from the 'Edit' Menu. Delete atoms: Select the atoms. Press the backspace key. Edit commands: Select 'Copy', 'Paste', 'Select ...', etc. from the 'Edit' Menu. Undo: Select 'Undo' from the 'Edit' Menu to go back in time. Pre-optimization of the geometry ADFinput: Click on the MM optimizer button (the smiley button).
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