Spartan '14 Help
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General Operating Features

Selecting Molecules

    Two or more molecules may be simultaneously displayed in Spartan 14's window. However, only one molecule may be selected. The selected molecule has access to all capabilities (molecule building, job setup and submission and text and graphical display and manipulation), while non-selected molecules may only be displayed as static images. The exceptions involve scaling or the use of the Ctrl key.

    Selection of a molecule occurs by clicking on its structure model or on any of its associated graphical surfaces. This results in deselection of the previously selected molecule. Molecular properties for the selected molecule are available in the Properties dialog (Display menu).

    Atom, bond and surface display properties, as well as information about geometrical constraints may be accessed by subsequent clicking on an atom, bond, graphical display, or constraint marker respectively, associated with the selected molecule. Selected atoms, bonds and constraint markers will be highlighted (colored gold). Clicking on a selected atom, bond or constraint marker resets the display to molecular properties.

    Clicking on another molecule results in display of molecular properties for that molecule. Information about plots and changes to plot style and range are also available from the Properties dialog, as is information about regression fits to data in a spreadsheet.

    Where the molecule belongs to a list with more than a single member, selection from among the different members in the list may be made using either the and buttons or the scroll bar at the bottom left of the screen. Alternatively, if the spreadsheet for the list is open on screen, selection can be made by clicking on the name of the desired molecule at the left of the spreadsheet.

    Clicking on at the bottom left of the screen animates the display of molecules in the list, that is, steps through them sequentially. This is useful for displaying a progression of graphical surfaces along a reaction coordinate. Clicking on (which replaces ) stops the animation.

    Two or more molecules from the same list may be displayed at once (although only one may be selected). Molecules are marked for display by checking the box immediately to the right of the molecule name in the spreadsheet.

Changing Colors and Setting Preferences

    Colors and Preferences... under the Options menu allows for changing default background and graphical object colors, and for setting (and resetting) program defaults, respectively. More detailed control of color (as well as model style) for specific parts of a molecule is available from the Properties dialog (Display menu).

    Monitoring and Terminating Jobs

    The Monitor under the Options menu allows for monitoring of executing jobs as well as for terminating jobs.



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Last modified: Thu Jun 20 10:47:57 PDT 2013