Cartesian Coordinates
The molecular geometry can be specified in a variety of formats, including Cartesian coordinates. The Cartesian Editor allows one to inspect and/or edit the Cartesian coordinates (x, y, z) of each atom.
The Cartesian editor is invoked with Tools:Edit Cartesian...
Cartesian Editor Dialog Box
Editing Atoms
Moving Atoms: Click the x, y, or z coordinate of the desired atom. Type in a new value. Press Return or Tab. Changes appear in the Editor.
Changing Atoms: Click the element of the desired atom. Type in a new chemical symbol. Press Return or Tab. Changes appear in the Editor.
Adding or Deleting Atoms
Adding Atoms: Click the Add Atom button. A new row will be added at the end of the atom list. Change the atom and move the atom by editing its entries. Changes appear in the Editor.
Deleting Atoms: Select the respective atom row by clicking on the index or any other entry. Click the Delete Atom button.
Note
The Direct tab in the Cartesian Editor is available only when Periodic Boundary Conditions are being used.