Initial Orientation
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Dialog Box - called from: Input2 Menu

Any initial Cartesian rotations specified here will be be applied to the x, y and z structure Cartesian axes (see section IV-4) in that order after the atoms are located and boundaries determined and before the structure is first displayed. If initial clinographic viewing is in effect, the clinographic rotations are applied after these initial rotations.

If the Clinographic viewing box is checked, the clinographic rotation (see Coordinate Systems) will be applied at the end of the calculation, after any initial Cartesian rotations. It may be turned off with the Clinographic Viewing command in the Rotation menu (or the ClinographicViewing command in the Display menu).

When exiting, ATOMS checks to see if the orientation has changed from the initial orientation defined in this dialog. If so, you have the option of saving the current orientation. This orientation will be converted into initial rotations on x, y and z, plus initial clinographic viewing if that is in effect.

Summary of orientation operations. ATOMS first sets the c structure axis parallel to the z viewer axis, and the a * structure axis (perpendicular to b and c ) parallel to x. This is the original orientation. Next, if the Slice boundary option is in effect, the slice is oriented with the slice plane parallel to yz, and the orientation vector parallel to z. Then the initial Cartesian rotations, if any, are applied. Finally, the clinographic rotations, if selected, are applied. This is the initial orientation.