Molecule Selection Drop Menu

Click the Molecule Selection drop menu to see the molecules that are included in the program. The molecules are listed alphabetically by name. Their molecular formula and point group are also displayed in the menu.
Click any line to load a molecule.
The first line (“No Molecule Selected”) deselects the displayed molecule, if any.

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Normal Mode Selection Drop Menu

Click the Normal Mode Selection drop menu to see the normal modes of the selected molecule. Its normal modes are listed by their experimental frequency. Their type and symmetry are also displayed in the menu.
Click any line to select a normal mode and to animate the molecule respectively.
The first line (“No Normal Mode Selected “) deselects the selected normal mode, if any.

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Simplified Spectrum

Move the mouse over a spectral line to see information about the corresponding normal mode.
Click a spectral line to select the corresponding normal mode. Upon selecting a mode from the simplified spectrum the Normal Mode Selection Drop Menu is updated.

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Displacement Slider

Use the Displacement slider to increase or to decrease the length of the displacements of the atoms.

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Frame Rate Slider

Use the Frame Rate slider to increase or to decrease the speed of the animation.

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Stop/Animate Button

Use the Stop/Play button to stop or to start the animation of a molecule. This button is active only when a normal mode is selected.

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Show/Hide Mode Button

Use the Show/Hide Mode button to show or to hide the vectors that represent the displacement of the atoms for the selected normal mode. This button is active only when a normal mode is selected.

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Zoom Button

Use the Zoom button to increase or to decrease the size of the molecule.

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Molecule Manipulation

A selected and displayed on the 3D Screen molecule can be freely rotated by clicking on any atom or bond and dragging the mouse around. The molecule’s orientation changes according to the mouse movement.

Furthermore the user can directly rotate the molecule around a specific axis by pressing the following special keys and dragging the mouse.

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