CONFLEX Interface Manual:Menus

File Menu

This menu features the following items.

New

Create empty window. You can copy & paste a molecular structure from CS ChemDraw.

Open

Used to open a molecular structure file.

Recent Molecules

Recently opened molecular structure files are listed here. The [Clear Menu] item will remove all recently-opend files list.

Save

Open molecule is saved (overwrite) in MDL Mol format.

Save As...

Open molecule is saved as a new file in MDL Mol format or as an image file in PNG format.

Close

This closes an open molecule window.

Quit

In the macOS version, the following menu items are in [CONFLEX] menu.This closes all CONFLEX Interface windows and quit the application.

Register CONFLEX

Registers a license of CONFLEX.

Paste molecular structure and set application settings.

Paste: Paste clipboard contents from CS ChemDraw.
Preferences...: Here users can set their preferences.
In the macOS version, this menu item is in [CONFLEX] menu. In the Windows and Linux version, this menu item is in [Edit] menu. The details are described in later chapter.

This sets the display format for the molecules.

CPK: The molecular display is placed in CPK format.
Ball and Stick: The molecular display is placed in ball and stick format.
Wire Frame: The molecular display is placed in lines.
Symbol: Displays the atom names of the atoms in the molecular structure currently displayed.
Label: The serial number for the atom is displayed for each atom in the molecular display.
Vibration: A vector which represents vibrations is displayed for each atom in the molecular structure currently displayed. This is only displayed if vibrational information is contained in the molecular file.
Surface: This toggles the molecular isodensity surface display.
Controller: The controller is displayed in the molecular table window. It can adjust the length of the vibrational vector, the transparency and size of the molecular surface.
Reset: This sets all view styles to the default settings.

There are tool bar buttons corresponding to some of these menu items. If you click the button, same action will be invoked.

The settings for the calculations are configured here.

The items shown may differ depending on the options available at the time of purchase.

When calculations are carried out, it may be necessary to configure the calculation server which is done using the [Preferences] dialog.

CONFLEX: This opens the dialog for the CONFLEX calculation settings.
GAUSSIAN: This opens the dialog for the Gaussian calculation settings.
Surface: If the file is a Gaussian FChk file, this will creates a Molecular Orbital or Molecular Isodensity Surface.

Property Box: This is used to toggle the display of the Property Box dialog.
Job Manager: This is used to toggle the display of the Job Manager which manages the calculation jobs.
Crystal Editor: This is used to toggle the display of th Crystal Editor Box dialog. It can assign crystal surfaces to display using Miller's indices (h, k, l) and color.
Object Inspector: This is used to toggle the display of the Object Inspector dialog.
IR Plotter: This is used to toggle the display of a dialog which displays a spectral line when a file containing normal vibration analysis data is opened.
UV Vis Plotter: This is used to toggle the display of a dialog displaying a spectral line when a file containing ultraviolet/visible light absorption data is opened.
UV CD Plotter: This is used to toggle the display of a dialog displaying a spectral line when a file containing CD (Circular Dichroism) data is opened.
NMR Plotter: This is used to toggle the display for observing the coupling pattern of the NMR spectrum during NMR calculations.
Summary List: This is used to toggle the display of a dialog displaying informations of conformers when a SD file is opened.

This displays a list of the open Windows. Selecting a window here makes it the active window.

Bring All to Front: Bring all windows of the program to the front.
Shade: Hides the window so that only the title bar is visible.
Maximize: Maximize the window size.
Tile Windows: Display the displayed molecule windows side by side on a tile.
Cascade Windows: Display the displayed molecule windows side by side, shifting them little by little.

This invokes the accessory application. The details are described in other manuals.

Opens CONFLEX Manuals and Tutorials using Web browser.