General Operating Features
Selecting Molecules
Two or more molecules may be simultaneously displayed in Spartan'06'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 Killing Jobs
Monitor under the Options menu allows for monitoring of
executing jobs as well as for killing jobs.
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