Operation - Windows, Menus
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Windows

VIBRATZ uses five types of windows; the Start-up Window, the Control Window, the Spectra Window, the Atoms Window, and Text Windows.

Start-up Window. This window allows entry of a New data set, Opening an old Vibratz (or VIBRAT) data set, or Importing structural data from various types of molecular and crystallographic data files. Once a data set is present, this window is not shown - the Control window appears in its place.

Control Window. This window controls the overall operation of VIBRATZ once a data set is present. It is actually a dialog with standard controls. It is present whenever there is a data set in memory. Among other things, the Control Window determines whether the other main types of windows are present. The Output window (a Text Window - see below) appears only if the Window radio button in the Output file group is checked. The Spectra Window and Atoms Window appear after calculation only if the corresponding boxes are checked. The Calculate button causes a calculation or re-calculation, and the Spectra, Atoms and Output windows are redrawn.

Spectra Window. This window displays synthetic infrared, Raman and or NRVS spectra. The parameters controlling the calculation of intensities and appearance of the plot are in the Spectra Plot Parameters dialog in the Settings menu. This dialog may also be accessed with a button in the Control Window. The Window itself has a Dialog Bar on its upper edge, which allows selection of the spectra shown, i.e. combined or individual components of IR and/or Raman spectra. The infrared spectra are shown in the upper helf of the window, with absorption going downward, while Raman spectra are shown in the lower half, with scattering going upward.

Atoms Window. This window displays a drawing of the atoms in the structure with vectors indicating relative motions in the normal modes. The parameters controlling the appearance of the plot are in the Atoms Plot Parameters dialog in the Settings menu; this dialog may also be accessed with a button in the Control Window. When this window is active, there is a Rotation menu present in the menu bar. The Window itself has a Dialog Bar on its left edge, which allows simple rotation, selection of the mode displayed, and changes of certain other parameters.

Text Windows - Output Window, Bonds (Coordination) window. These windows, which display results of calculations in textual form, are standard text-edit windows. Each displays the contents of a text file, whose name is given in the title bar of the window. The text may be changed, deleted and printed out, using the standard menu commands for text editing. The menu bar which is present when a text window is active is completely different from the menu bar present which is present when the Control, Spectra or Atoms Window is active - the Text Window menu bar only shows commands pertaining to editing the current text file. To restore the menu bar which allows access to the current VIBRATZ data set you must make one of the other windows active by clicking on it, or by selecting it in the Window menu.

Menus

Each of the four types of window has a different Menu Bar (which is present in the window itself in MS Windows, and in the full-screen position in Macintosh). The menu bar for the Control window has entries for editing the data; the menu bar for the Spectra and Atoms windows have entries for output and in the case of the Atoms window for special Rotations. The menu bar which is present when a Text window (Output or Coordination) is active has entries for editing and changing fonts, etc.