GaussView Menus
GaussView contains the following menus, which have the indicated general purposes and selections:
- : Creating, opening, printing, and saving structures and movies, as well as setting GaussView preferences.
- : Create a new molecule (per submenu selection).
- : Add a new molecule to the current molecule group.
- : Open files supported by GaussView.
- : List of recently opened files for easy reaccess.
- : List of files related to the current molecule (e.g., input file, log file, checkpoint file, etc.).
- : Reload current file in active View window.
- : Save molecule(s) in the active molecule group to file(s).
- : Save any temporary files associated with Gaussian Quick Launch jobs.
- : Convert between various Gaussian file and molecule file types.
- :
Opens the directory associated with file corresponding to the active
molecule group in the native operating system. It also selects the
file.
- : Print the contents of the active View window.
- : Produce a graphics file of current View window.
- : Save movie file, movie frame files, or both (selected via submenu).
- : Specify defaults for aspects of GaussView’s behavior.
- : Close all GaussView windows, and exit application.
- : Performing molecule-building and configuration tasks.
- : Reverse the previous editing action and maintain a list of all previous actions for potential Redo.
- : Reverse the previous Undo operation.
- : Cut the current selection to clipboard.
- : Copy the current selection to clipboard.
- : Copy clipboard contents to the current model (per submenu selection).
- : Remove the current selection.
- : Copy the contents of the active View window to the clipboard.
- : Rewrite the current Z-matrix in a standardized form.
- : Apply point group symmetry to the current model.
- : Restore canonical molecule orientation.
- : Recompute the bound atoms, identifying bonded atoms based on a distance algorithm.
- : Remove all weak bonds from the molecule (represented visually by a dashed line).
- : Adjust molecular geometry according to a set of rules designed to match chemical intuition.
- : Invert the molecule around the selected atom.
- : Specialized features for specific building tasks and calculation types.
- : Edit the molecule’s numerical coordinates and parameters in a spreadsheet-like dialog.
- : Specify redundant internal coordinates for the Gaussian ModRedundant option.
- : Specify corresponding atoms in two related molecular structures (e.g., for Opt=QST2 or QST3 input).
- : Assign atoms to layers graphically for ONIOM calculations.
- : Open the Atom Group Editor, useful for defining fragments, ONIOM layers, frozen atoms, and other atom groupings.
- : Open the Atom Selection Editor, enabling you to perform advanced selection operations.
- : Open the PDB Residue Editor, which enables operations based on residues as defined in the originating PDB file.
- :
Open the PDB Secondary Structure Editor, which enables operations
based on PDB file secondary structures (e.g., chains and helixes).
- : Specify/impose symmetry on the current model.
- : Create and modify unit cells for periodic structures.
- : View, reorder, and modify occupancy for molecular orbitals.
- : View, reorder, and modify occupancy for molecular orbitals.
- : Creating and modifying molecular structures and structural parameters.
- : Open the Element Fragments palette.
- : Access a palette of ring structures.
- : Summon a palette of functional group fragments.
- : Summon a palette of amino acid and nucleoside fragments.
- : Access a custom fragment library.
- : Submenu displays list of fragments of the checked type.
- : Places an atom at the centroid position of the currently selected atoms.
- : Access Bond SmartSlide dialog after two atoms are selected.
- : Access Angle SmartSlide dialog after three atoms are selected.
- : Access Dihedral SmartSlide dialog after four atoms are selected.
- : Examine structural data for the current molecule.
- : Add an additional hydrogen to the selected atom.
- : Eliminate atoms and/or open valences (dangling half bonds).
- : Invert molecular structure about a selected atom.
- : Select atoms by clicking on them.
- : Select atoms by clicking and dragging a marquee enclosing them.
- : Select atoms by clicking and dragging a marquee enclosing them.
- : Deselect all currently selected atoms.
- : Select all atoms.
- : Managing and interacting with the display of molecules.
- : Create a new View window, with an independently adjustable view of the current molecule.
- : Center molecule in the View window (adjusts size).
- : Close or reopen the standaloneBuilder palette.
- : Control the display of hydrogens in View window.
- : Control the display of dummy atoms in View window.
- : If selected, label each atom with its serial number (reflecting its sequence in the list of atoms).
- : If selected, display the chemical symbol for each atom.
- : Control the display of bonds in the View window.
- : Link views to synchronize mouse-based manipulations.
- : Control the display of X,Y,Z axes in the View window.
- : Indicate molecule’s stereochemistry by labeling relevant atoms as R or S.
- : Display the molecule positioning tools icons in the View window toolbar.
- : Specify the display format for molecules and surfaces.
- : Setting up and submitting Gaussian calculations and viewing current GaussView-initiated jobs.
- : Set up Gaussian input for the molecular structure in the current view winodw and optionally run the job.
- : Run a Gaussian job for the current molecule, bypassing the Gaussian Calculation Setup dialog.
- : Define and modify Gaussian calculation schemes.
- : Perform a conformational search.
- : Display currently running GaussView-initiated Gaussian jobs (including CubeGen and FreqChk).
- : Open the SC Job Manager facility.
- : Examining calculation results, including surfaces, spectra, plots, and animations.
- : Provide summary data of the results of a Gaussian calculation (after a results file is opened).
- : Display partial charge density, as computed by various Gaussian methods.
- : Display the IEFPCM solvation cavity for the Gaussian job.
- : Display predicted atomic charges and other atom properties.
- : Display predicted bond orders and other properties.
- : Create, load, save, and display surfaces and contours.
- : Display calculated vibrational and other spectral data, including normal mode animation.
- : Display calculated NMR spectra.
- : Display predicted UV/Visible spectra.
- : Display predicted ORD spectra.
- : Display results of one or more jobs in tabular form.
- : Display plots of potential energy surface scans.
- : Display plots of predicted IRC paths.
- : Display trajectory plots from ADMP or BOMD calculations.
- : Display plots of geometry optimization results.
- : Displays plots of energy conformations from GMMX calculations.
- : Start an editor session for the log file for the current molecule.
- : Display output from a currently running Gaussian calculation continuously as it becomes available.
- : Managing the various GaussView windows.
- : Display/restore windows for all model groups.
- : Minimize all view windows.
- : Raise active View window.
- : Open all minimized view windows.
- : Close the active View window.
- : Close all open view windows.
- : Activate the previous View window in sequence.
- : Activate the next View window in sequence.
- : Arrange all view windows in an overlapped pile.
- : Resize and rearrange view windows so that all are visible.
- : Make the specified View window the active one.
- : Viewing help files for GaussView and Gaussian, as well as GaussView tips.
- : Open the GaussView help facility.
- : Essential information for getting starting using GaussView to build molecules, set up and run Gaussian calculations, and visualize results
- : Reference table for all icons and menu items.
- : Frequently-asked questions about using GaussView.
- : List of tutorials that teach you specific GaussView features.
- :
Open the Gaussian website’s help section in the default
browser. If Internet access is not available, a local copy
included within the GaussView application tree is opened instead.
- : Display the GaussView copyright and version information.
- : Display GaussView tips.