Dialog Bar - Fragments
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Dialog Bar - Fragments

This is actually a special type of Control Bar, which resides on the right side of the main Graphics window. It can be turned on or off with the Dialog Bar - Fragments command in the Display menu.

Frag (Fragment) This selects the fragment to be operated on.

Rotate. Each of the six buttons will rotate the selected fragment about one of the Cartesian observer axes (see Coordinate Systems) by the angle in degrees entered in the edit box below. The arrows in the lower four buttons indicate motion of the front of the structure.

Translate. Pressing the Translate button will move the selected structure by the distance in Angstroms entered in the edit box, along one of the Cartesian observer axes (Cart x, y or z) or one of the structure (crystal) axes (Struct a, b or c) of the main structure as selected by the radio buttons.

Use a negative distance to move backward along one of the axes.

The translations in this dialog affect the actual x, y and z coordinates of the atoms and are thus quite different from the plotting displacements in the Centering and Displacements dialog in the Input2 Menu.

Translations can be removed in the Translate Structure Fragment dialog under Multiple Structures in the Transform menu. This dialog also allow more complex translations.

Rotations made in this dialog can be removed with the Rotate Structure Fragment dialog, Transform menu.

Note that the rotations and translations (on Cartesian axes) are applied in the current orientation of the overall structure and fragments, but they operate on the original coordinates as listed in the Input Atoms dialog. These rotations and translations are permanent, and will be saved with the Save or Save As options. Currently, the input atom coordinates are not changed by rotations of the complete structure (e.g. with the DialogBar-Left), whereas in earlier versions of ATOMS rotations of the complete structure acted directly on the input atoms.