Getting and changing geometry details

If you select 2, 3 or 4 atoms some geometry information will be presented at the bottom of the screen:

• 2 atoms: distance
• 3 atoms: angle
• 4 atoms: dihedral angle
• 5 atoms: angle between two planes

Often you can also change the information displayed. The geometry of your molecule will be updated accordingly. This is not always possible: ring structures make it impossible since BANDinput does not know how to change other bonds and angles. In such a case you might temporarily remove a bond, fine-tune your geometry, and finally recreate the bond you removed. The planes of the plane angle are defined through (in order of selection) atoms 1, 2 & 3 and atoms 3, 4 & 5. The order of selection is important in all cases.