Add Hydrogens to a Molecule Automatically Using the Atom List Editor

When a molecule is loaded from a PDB, MOL, MOl2 or SDF file, you have the option to
automatically add hydrogens to the structure.
Hydrogens can also be automatically added to any molecule at any time by selecting "Add
Hydrogens for All Atoms" from the Edit menu of an Atom List Editor

Multi-Atom Editing in an Atom List Editor

Most columns in an Atom List Editor support multi-row (i.e., multi-atom) editing.
1. Select the rows (atoms) you want to edit.

2. Edit a cell which is both in the desired column (e.g., "Symbol") and in one of the
selected rows.

Each cell in the column of the edited cell whose row is selected will be changed to the value
of the edited cell.

Use a View Window to Select a Row in an Atom List Editor and / or a

Peak in an NMR Spectrum.

Right-clicking on an atom in a View Window with the Shift key down will:
 Cause the View Window's Atom List Editor (if showing) to scroll to that atom's row
and select it.
Cause the View Window's NMR spectra (if available and showing) to select the peak
corresponding to the atom.

Setting Up Counterpoise Calculations.

Gaussian Counterpoise calculations can be easily set up with the help of GaussView's Atom
Group Editor. Use the "Gaussian Fragments" Atom Group class to define your
Counterpoise fragments.

Quickly and Reliably Set Up Gaussian Jobs Using Gaussian Calculation

Schemes.
A Gaussian calculation scheme is basically a named template for a Gaussian job. A Gaussian
calculation scheme can consist of a set of Gaussian keywords, a set of link0 commands, a title
and possibly a set of additional input lines to follow the molecule specification.
Gaussian calculation schemes are especially useful for quickly and reliably setting up similar
or identical calculations for a set of molecules, especially if the calculations involve a lot of
non-default input.
The workflow in using Gaussian calculation schemes is typically as follows:
1. Load or build a molecule in a view window.

2. Assign a Gaussian calculation scheme to the molecule.

3. Save and possibly submit a Gaussian job file.

The value of Gaussian calculation schemes lies in step 2, which eliminates much or all of the
time (and possibly error) spent manipulating controls in the "Gaussian Calculation Setup"
dialog or manually editing Gaussian job files.

Gaussian Calculation Schemes Dialog.

Gaussian calculation schemes can be viewed, edited, deleted, and selected for use in the
Gaussian Calculation Schemes dialog, which is accessible via the "(More Schemes...)" item
of a "Gaussian Calculation Scheme" menu or listbox, or by clicking the tool button.
Right-click in the Gaussian Calculation Schemes dialog to popup a menu of useful features.

Dynamically Display and Search the Log File of a Running (or

Completed) Gaussian Job.

After opening a Gaussian log file (or corresponding gjf file) in GaussView, the log file can be
displayed statically or dynamically in a searchable, highly customizable GaussView window
called a File Stream Viewer. A File Stream Viewer can be launched via the Results menu
or via the Current Jobs dialog or via a button in the lower left of a view window associated
with a "Gaussian Quick Launch" job.
Right-clicking in a File Stream Viewer window will popup a menu with a variety of useful
features.

3D Graphics Issues

Consider updating your computer's graphics drivers if you have View Window display issues
or problems saving View Window images.

"Use Pixel Buffers" for Faster Image Captures of View Windows

Pixel buffers (aka "pbuffers") can be used to significantly increase the speed of capturing a
view window image for copying to the system clipboard, for saving an image of a view
window to a file, for printing an image of a view window or for making a movie from a series
of view window images.
To enable the use of pixel buffers in GaussView, check the "Use Pixel Buffers" box in the
"Image", "Print" or "Movie" section of GaussView Preferences.
Pixel buffers are supported on most systems with modern graphics cards / chips and up-to-
date graphics drivers.
If you try using pixel buffers and have problems capturing images, try updating the drivers for
your graphics hardware. If you still have problems, just uncheck "Use Pixel Buffers" in
GaussView Preferences.

GaussView Help Dialog

When the GaussView Help dialog is active, the 'Ctrl+F' keyboard shortcut will allow you to
search within the current help page. The keyboard shortcut 'F3' will repeat the last search
from the current location.

Batch Convert Files to a new Format or to the Same Format Using a

Different Scheme

A Convert Files dialog is used to easily and quickly convert one or more "source" files of any
type that can be opened in GaussView to corresponding new "target" files of another type (or
even the same type). For example, one can use "Convert Files" to convert a batch of MDL
mol files to corresponding Gaussian input files. When converting to Ampac or Gaussian
input file types, it is possible and indeed quite useful to choose an Ampac or Gaussian scheme
to be used for the keywords and other non-structural data one desires for the input
files. When a multi-structure source file is converted (e.g., MDL .sdf files), a new target file
is created for each structure in the source file.

Dragging and Dropping Files Onto the Main Window

You can open one or more files in GaussView by dragging them from a desktop or a file
manager (such as a Windows Explorer window or a Mac Finder window) and dropping them
onto the GaussView main window. If you drag and drop the files with the left mouse button, a
separate new molecule group will be created for each file. If you you drag and drop the files
with the right mouse button, you get a menu of options when you drop of how you want the
files to be opened (e.g, create a separate new molecule group for each file, create a single new
molecule group for all files, etc.)

Dragging and Dropping Files Onto a View Window

You can open one or more files in GaussView by dragging them from a desktop or a file
manager (such as a Windows Explorer window or a Mac Finder window) and dropping them
onto a GaussView view window. If you drag and drop the files with the left mouse button, the
files will be added to the view window's molecule group. If you you drag and drop the files
with the right mouse button, you get a menu of options when you drop of how you want the
files to be opened (e.g, create a separate new molecule group for each file, create a single new
molecule group for all files, etc.)

Load any Job from a Multi-Job Gaussian Input File or Multi-Job Gaussian
Log File
Using the --Link-- line as a job separator, multiple jobs can be specified in a single Gaussian
input file, with the Gaussian log output for each job all being written to the same corresponing
Gaussian log gile.
When a Gaussian input file or log file containing multiple jobs is opened, the default behavior
is to ask the user to select those jobs they wish to load, the selection being done from a table
summarizing each of the jobs.
In the "File Open Options" of the "Open Files" dialog, the user can specify the preferred
behavior when opening Multi-Job Gaussian Input files and Gaussian Log files to one of the
following:
 Ask
 Load First
 Load Last
Load All

Read Intermediate Geometries

By default, only converged geometries will be read in from a Gaussian log file or checkpoint
file. Intermediate geometries refers to steps taken during an optimization step prior to
arriving at the converged structure. When an optimization stumbles or fails, it can be helpful
to read in these intemediate steps in order to help to diagnose where the problem may have
occured. Reading in intermediate geometries is primarily used for plain optimizations, but
can also be used with relaxed scan and IRC jobs. To read in all of the (intermediate and
converged) geometry steps:
 In the File menu, select Open....

 In the Open Files dialog, click on the Open File Options and then select the "Read
Intermediate Geometries" checkbox.

 Click on the "Open" button and a set of geometries should appear in resulting
molecule group.

Under the Results menu, the Optimization..., Scan..., or IRC/Path... item should be enabled.
Refresh a Molecule or Molecule Group Loaded from a File
Particularly useful when the file is a result file from an actively running job (e.g., a Gaussian
log file). All views and associated dialogs for the active molecule will be updated and any
new molecules loaded from the file will be added to the active molecule group.
Refresh can be done from the File menu or from the Results Summary dialog.
Auto Refresh can be specified in the Results Summary dialog. This option will check for
file updates for the active molecule (at the time Auto Refresh was checked) every 5 seconds
and reload the file if it has been updated since it was last loaded.

Save Multi-Job Gaussian Input Files

Using the --Link-- line as a job separator, multiple jobs can be specified in a single Gaussian
input file.
Such a Multi-Job Gaussian Input file can be saved for two or more members of a molecule
group by using "Yes, single file for all molecules" item of the "Save Molecule Group"
combobox in the "Save Structure Files" dialog. For each selected molecule of the active
molecule group, input for a Gaussian job corresponding to the molecule's current Gaussian
calculation scheme will be written to the specified Gaussian input file.

Saving Temporary Formatted Checkpoint Files

When a Gaussian binary checkpoint file (*.chk) is opened by GaussView, the corresponding
formatted checkpoint file (*.fch or *.fchk) is what is actually read. The formatted file is
created from the binary file using Gaussian's formchk utility. The file is stored with a
unique, arbitrary name in a temporary scratch directory that is difficult to access and is
deleted when GaussView is exited.
To save such a temporary formatted checkpoint file to a non-scratch directory for later use,
select Save Temp Files from the File menu. By default, the saved formatted checkpoint file
will have the same base name and path as the parent checkpoint file.

Saving Temporary Quick Launch Files

When a Gaussian Quick Launch calculation is done using the default "Temp File" option, the
Gaussian input file (*.gjf or *.com) and the corresponding result files (*.log, *.chk, etc.) are
stored in a temporary scratch directory with a unique, arbitrary base name. These files are
deleted when the last view window corresponding to one or more of the files is closed or
when GaussView is exited.
To save such temporary Gaussian Quick Launch files to a non-scratch directory for later use,
select Save Temp Files from the File menu.

PDB Files and PDB Data.

GaussView can open PDB files with a variety of options, including:
 Load one or more structures from a multistructure PDB file
 Add hydrogens
 Load biological unit or asymmetric unit
PDB data can be viewed via the Atom List Editor, PDB Residue Editor and PDB
Secondary Structure Editor accessible from the Edit menu.
The protonation states of residues can be easily edited in the PDB Residue Editor.
PDB data loaded from a PDB file can be saved to a Gaussian job file. Gaussian will pass
PDB information in a Gaussian job file to the corresponding log and chk files and this data
will automatically be loaded by GaussView.
GaussView can write a PDB file for any molecule. If the molecule contains PDB residue and
secondary structure data, then this will automatically written to the PDB file.

Building and Editing Molecules With Point Group Symmetry

Constraints.
Using the Point Group Symmetry dialog, changes to the geometry of a molecule via the
bond, angle and dihedral sliders or via the X, Y and Z columns of the Atom List Editor can be
constrained to preserve the current point group (or a specified subgroup) of the molecule.
Point group symmetry constraints also apply to changing an element type of an atom or atoms
in the Atom List Editor.
Point group symmetry constraints also apply to changing an bond type of a bond in the Bond
Semichem Smartslide dialog.
When point group symmetry constraints are active, replacing a target atom of a molecule with
another atom or Builder fragment will simultaneously replace all other atoms which are
symmetrically equivalent within the specified constraint group. After a set of multiple-atom
Builder fragment are placed, the resulting symmetry of the molecule may necessarily be less
than the specified constraint group.

Change Plot of Molecular Properties

For result plots based on a sequence of geometries (IRC / Path, Scan, Optimization, etc.), you
may create a plot of a particular molecular property using the Plot Molecular Property...
option from the Plots menu at the top of dialog. You may add as many of these plots as you
desire. Rather than adding new plots, you may also change an existing molecular property
plot to display a different molecular property. To do this:
 On the molecular property plot of interest, click the right mouse button to bring up its
context menu

 From the context menu, select Change Plot... to bring up the Edit Molecular
Property Dialog

 From the main combobox select the desired property type (if different from current)
 Change information in the additional fields (charge type, atom indices, or coordinate)
as needed

To exit the Edit Molecular Property Dialog, click the left mouse button on the ok button

Changing Units in Result Spectra and Data Plots

For result spectra (NMR, UV/Vis, etc.) or result data plots (IRC, Scan, etc.), the units may be
changed or the spectrum / plot scaled along the horizontal and / or vertical axes. For a set of
spectra / plots, each can be adjusted independently. For a few types, there are no units or only
one allowed unit; however, all types may be arbitrarily scaled. To set the units / scaling:
 On the spectrum / plot of interest, click the right mouse button to bring up its context
menu

 From the context menu, select Properties... at the bottom to bring up the Plot
Properties Dialog

 In either the X-Axis (top) box or the Y-Axis (bottom) box:

select the desired unit in the combination box to the right of units =
or
select scale by... in the combination box to the right of units = and
then type in the desired value in the input box to the right
To accept the change and exit the Plot Properties Dialog, click the left mouse button on the
okay button

Customizing Result Spectra and Plots

For result spectra (NMR, UV/Vis, etc.) or result data plots (IRC, Scan, etc.), each individual
spectrum / plot comes with a convenient context menu. The context menu supplies the user
with additional tools and features that apply to the specific spectrum / plot. The context menu
is opened by clicking the right mouse button on the spectra / plot of interest. From the
context menu, you may:
 Show All Plots - Makes all hidden spectra / plots visible (option only available if
multiple plots exist)

 Hide Other Plots - Hides all spectra / plots except the current one (option only
available if multiple plots exist)

 Hide This Plot - Hides the current spectrum of plot (option only available if multiple
plots exist)

 Zoom Out - Restores spectrum / plot to its normal zoom level

 Undo Last Zoom - Undo the most recent zoom or panning event
 Print... - Prints the spectra / plot

 Save Data... - Creates a named text file containing the data shown in the plot

 Save Picture... - Creates a named image file of the plot

 NMR Summary - NMR spectra only. Creates a named text file containing the data
shown in the plot with degenerate peaks grouped together

Properties... - Brings up the Plot Properties Dialog that allows you to customize the spectra /
plot

Customizing the NMR Degeneracy Threshold

For NMR spectra, nearly degenerate peaks are displayed together as being exactly
degenerate. The decision whether to group to peaks together as being degenerate is
determined by threshold that may be adjusted by the user. For a set of NMR spectra, each
spectrum can be adjusted independently. To adjust this threshold:
 On the spectrum of interest, click the right mouse button to bring up its context menu

 From the context menu, select Properties... at the bottom to bring up the Plot
Properties Dialog

 In the field next to NMR Degeneracy Tolerance, type in the desired value and hit
enter

To accept the change and exit the Plot Properties Dialog, click the left mouse button on the
okay button

Inverting Result Spectra and Data Plots

For result spectra (NMR, UV/Vis, etc.) or result data plots (IRC, Scan, etc.), the spectra / plot
may be inverted along the horizontal and / or vertical axes. For a set of spectra / plots, each
can be adjusted independently. To invert:
 On the spectrum / plot of interest, click the right mouse button to bring up its context
menu

 From the context menu, select Properties... at the bottom to bring up the Plot
Properties Dialog

 In the X-Axis (top) box or the Y-Axis (bottom) box, click the left mouse button on the
check box next to the words invert axis to toggle this option

To accept the change and exit the Plot Properties Dialog, click the left mouse button on the
okay button
Add Plots of Molecular Properties
For result plots based on a sequence of geometries (IRC / Path, Scan, Optimization, etc.), it is
sometimes useful to display other molecular properties (such as bond length) alongside the
main plots. In addition to the standard plots (energy, gradient, etc.), one can add any number
of molecular property plots (as long as the property is available). The currently allowed
properties are Cartesian coordinate, bond length, bond angle, dihedral, atomic charge (if
available), and dipole moment (if available). To create the plots:
 From the Plots menu at the top of dialog, select Plot Molecular Property...

 From the Choose Molecular Property Dialog, use the combobox to select the desired
property type

 Fill in any additional fields (charge type, atom indices, or coordinate) as directed by
the dialog

To create the plot and exit the Choose Molecular Property Dialog, click the left mouse
button on the ok button

Plot Panning in Result Spectra / Plots

Result spectra (NMR, UV/Vis, etc.) or result data plots (IRC, Scan, etc.) support plot panning.
This works in conjunction with zooming to enhance the user's ability to focus on the specific
portions of the plot they wish to view.
To begin panning:
 Pressing and holding the Shift key will cause the mouse cursor will change to an open
hand icon. While holding down the Shift key, click and hold the left mouse button and the
mouse cursor will change to closed (grasping) hand.

 With the Shift key depressed and the left mouse button down, moving the mouse will
cause the plot to shift accordingly. Panning ends when either the left mouse button or the
Shift key is released.
To undo panning:
 On the spectrum / plot of interest, click the right mouse button to bring up its context
menu

From the context menu, select Zoom Out to view the full spectrum / plot or select Undo Last
Zoom to undo the the most recent pan or zoom event.

Customizing Peak Widths for UV/Vis and Vibration Spectra

For both UV/Vis and Vibration spectra, the spectral intensities are accompanied a plot of
Lorentzian curves that approximate the appearance an actual spectra. The width of the peaks
in these spectra can be adjusted to be wider or narrower to make the plot appear more
realistic. For a set of spectra, each spectrum can be adjusted independently. To adjust this
width:
 On the spectrum of interest, click the right mouse button to bring up its context menu

 From the context menu, select Properties... at the bottom to bring up the Plot
Properties Dialog

 In the field next to IR Peak Width (Vibration Spectra) or UV-Vis Peak Width
(UV/Vis Spectra), type in the desired value and hit enter

To accept the change and exit the Plot Properties Dialog, click the left mouse button on the
okay button

Shifting Result Spectra and Data Plots

For some result spectra (NMR and ORD, but not UV/Vis and Vib.) and all result data plots
(IRC, Scan, etc.), the spectra / plot may be shifted in the the horizontal and / or vertical
directions. For a set of spectra / plots, each can be adjusted independently. For a few types,
shifting in the vertical direction (y-axis) is not allowed. To set the shift:
 On the spectrum / plot of interest, click the right mouse button to bring up its context
menu

 From the context menu, select Properties... at the bottom to bring up the Plot
Properties Dialog

 In either the X-Axis (top) box or the Y-Axis (bottom) box:

type in the desired value in the field next to origin =
or
select the current button to shift the plot relative to the current
active point
To accept the change and exit the Plot Properties Dialog, click the left mouse button on the
okay button

Showing and Hiding Result Plots and Spectra

When displaying result spectra (NMR, UV/Vis, etc.) or result data plots (IRC, Scan, etc.),
there will frequently be multiple spectra or plots. In this case, there are several controls to
allow the user to selectively show or hide these spectra / plots, which allows the user to
concentrate on a specific one and compare two of them next to each other. Some specific
controls:
 In the Plots menu, each of the spectra / plots are listed by name. Next to each name a
check mark indicates that it is being shown and no check mark indicates that it is
hidden. Selecting a name in the menu toggles its status between shown and hidden. Note,
one plot must always be visible.

 The Show All option in the Plots menu makes all of the spectra / plots visible.
 The Hide Other Plots option in the Plots menu will hide (make invisible) all of the
spectra / plots other than the currently active one.

 The Hide This Plot option in the Plots menu will hide (make invisible) the currently
active spectrum / plot (unless it is currently the only one visible).

From a plot or spectrum context menu (accessed using the right mouse button), selecting
Show All Plots, Hide Other Plots, or Hide This Plot is equivalent to the corresponding
option in the Plots menu.

Showing and Hiding Result Plots and Spectra

When displaying result spectra (NMR, UV/Vis, etc.) or result data plots (IRC, Scan, etc.),
there will frequently be multiple spectra or plots. In this case, there are several controls to
allow the user to selectively show or hide these spectra / plots, which allows the user to
concentrate on a specific one and compare two of them next to each other. Some specific
controls:
 In the Plots menu, each of the spectra / plots are listed by name. Next to each name a
check mark indicates that it is being shown and no check mark indicates that it is
hidden. Selecting a name in the menu toggles its status between shown and hidden. Note,
one plot must always be visible.

 The Show All option in the Plots menu makes all of the spectra / plots visible.

 The Hide Other Plots option in the Plots menu will hide (make invisible) all of the
spectra / plots other than the currently active one.

 The Hide This Plot option in the Plots menu will hide (make invisible) the currently
active spectrum / plot (unless it is currently the only one visible).

From a plot or spectrum context menu (accessed using the right mouse button), selecting
Show All Plots, Hide Other Plots, or Hide This Plot is equivalent to the corresponding
option in the Plots menu.

Zoom In / Zoom Out in Result Spectra / Plots

For result spectra (NMR, UV/Vis, etc.) or result data plots (IRC, Scan, etc.), the user may
zoom into any portion of the spectrum / plot. This can be used in conjunction with plot
panning to focus on specific regions of the plot.
To zoom in:
 On the spectrum / plot of interest, click and hold the left mouse button to select one
corner of the zoom field

 While holding the mouse button, move the mouse to opposite corner of the desired
zoom area

 Release the mouse and the rectangle formed by the mouse positions will be zoomed to
occupy the full area
To zoom out:
 On the spectrum / plot of interest, click the right mouse button to bring up its context
menu

From the context menu, select Zoom Out to view the full spectrum / plot or select Undo Last
Zoom to undo the the most recent zoom or pan event.

Copy Summary Dialog Information to Clipboard

When a molecule's Summary Dialog is displayed, pressing Ctrl+C will copy any user
selected items to the systems clipboard. To select items:
 Pressing Ctrl+A will select all items in the dialog

 An item in the dialog may be selected by clicking it with the left mouse button

 A range of items in the dialog may be selected pressing and holding the left mouse
button

Multiple sets of items may be selected by pressing the Ctrl key while selecting using the left
mouse button

Save Summary Dialog Information to Named File

When a molecule's Summary Dialog is displayed, pressing the Save Data button at the
bottom of the dialog will copy all of the summary information to a named file. You will be
prompted for the name the text file to which the data will be saved.

Tracking Progress of Long Running Jobs

For a very long Gaussian optimization, IRC, or scan job, it is often helpful to be able to
monitor its progress while it is still running. This can be done using the following steps:
 After launching the job, select Related Files from the File menu and select the name
of the corresponding log file.

 For the active log file, select Summary... from the Results menu to open the
Summary Dialog to see the information that is currently available in the file.

 Select the Opt, IRC, or Scan tab (depending on the job type) to get information on the
running job. This displays the current step or point number of the job as well as convergence
information. (Note: this tab will be disabled if the job is still in the initial phase.)

Using the File button at the bottom, select Refresh to tell the program to re-read the file and
update all of the summary information. Alternatively, select the Auto-Refresh to have the
program periodically update the information every five seconds.
Vibrational Analyses Using Different Isotopic Masses.

After opening a Gaussian checkpoint file (chk or fchk) with force constant data (i.e., from a
"Freq" job), you can calculate and display the vibrational frequencies and other vibrational
data for any "Isotopologue" of the molecule, i.e. any set of isotopic masses. Isotopologues are
defined in the Atom List Editor and selected in the Run Freqchk dialog.

Easily Create a Structure Along a Vibrational Normal Mode Coordinate.

Using the "Manual Displacement" option in a Display Vibrations dialog, a vibrationally

displaced geometry can easily be created from a stationary point geometry (e.g., a transition
state geometry or equilibrium geometry) by displacing the atoms along any normal mode
coordinate, the extent of displacement being specified using either a slider or an editable input
field.

Context Menu for a View Window

Right-clicking in a View Window will pop up a context menu containing each of the Main
Window's menu bar and toolbar items. This is especially useful when the View Window is
full screen or when you have many windows open and the Main Window is obscured.

Dragging and Dropping Molecules Between View Windows

You can drag a molecule or a disconnected fragment of a molecule from one view window to
another by holding down the 'd' key while initiating the drag. This will copy the structural,
layer and possibly some other atomic information from one view window to another.
Molecule drag and drop between view windows is similar to fragment placement via the
Builder, except that the fragment being placed comes from a view window instead of from the
Builder and more than just structural information can be copied.
 The atom you start the drag on in the source view window is the "hot" atom. If you
don't start the drag on an atom, atom 1 is the "hot" atom. The "hot" atom is highlighted.

 The atom you drop on in the desination window is the "target" atom. If you don't drop
on an atom, the dragged molecule is placed where you dropped it and there is no "target"
atom.

 The destination view window can be initially empty.

 You can drag and drop within the same view window

 You can drag and drop a disconnected fragment of a molecule by holding down the 'f'
key or the Alt key along with the 'd' key while initiating the drag on an atom in the
disconnected fragment.
If you drag and drop with the right mouse button instead of the left, you get a menu of
options when you drop (e.g., cut the molecule instead of copying, add to the molecule group,
etc.)

Initial Size and Position of View Windows

The initial size and position of a new View Window is determined by the size and position of
the most recently active View Window, either from the current GaussView instance or the
previous GaussView instance. If the most recently active View Window is still open, the new
View Window will be slightly offset from it so both View Window's title bars are visible.

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be rotated around the screen X-axis using either of the
following methods:
 Move the mouse pointer along the screen Y-axis with the left mouse button down

Use the up and down arrow keys

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be translated along the molecule X-axis using the
following method:
Use the left and right arrow keys with both the Shift and Alt keys pressed

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be translated along the molecule Y-axis using the
following method:
Use the up and down arrow keys with both the Shift and Alt keys pressed

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be translated along the molecule Z-axis using the
following method:
Use the up and down arrow keys with both the Ctrl and Alt keys pressed

Mouse and Keyboard Bindings for View Windows

Atoms can be selected or deselected in a view window with the help of keyboard shortcuts:
 a: Pressing the 'a' key will select all atoms of the molecule in the active view
window.
 n: Pressing the 'n' key will deselect all atoms of the molecule in the active view
window.

 c: Mouse-Clicking an atom in the active view window while holding down the 'c'
key will select / deselect the atom.

 r: Drawing a rectangular region in the active view window with the mouse while
holding down the 'r' key will select all atoms within the rectangle.
Atom selection can also be done in a similar way using corresponding Builder buttons instead
of keyboard keys, or more generally by using the "Atom Selection Editor", which is
accessible from the "Edit" menu.
If the 'f' key is held down when an atom is selected / deselected by clicking, then all atoms
connected directly or indirectly to the clicked atom via bonds will also be selected /
deselected. This provides a quick and easy way to select a molecule in a weakly bound
complex or a crystal, for example.
Selected atoms can be used in a variety of ways, such as Cut/Copy/Delete or defining "Atom
Groups" such as ONIOM layers and Gaussian Fragments.

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be rotated around the screen Y-axis using either of the
following methods:
 Move the mouse pointer along the screen X-axis with the left mouse button down

Use the left and right arrow keys

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be rotated around the screen Z-axis using any of the
following methods:
 Move the mouse pointer along the screen X-axis with the right mouse button down

 Move the mouse pointer along the screen X-axis with the left mouse button down and
the Ctrl key pressed

Use the left and right arrow keys with the Ctrl key pressed

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be translated along the screen X-axis using any of the
following methods:
 Move the mouse pointer along the screen X-axis with the middle mouse button down

 Move the mouse pointer along the screen X-axis with the left mouse button down and
the Shift key pressed
Use the left and right arrow keys with the Shift key pressed

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be translated along the screen Y-axis using any of the
following methods:
 Move the mouse pointer along the screen Y-axis with the middle mouse button down

 Move the mouse pointer along the screen Y-axis with the left mouse button down and
the Shift key pressed

Use the up and down arrow keys with the Shift key pressed

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be zoomed into and out of the screen Z-axis using any of
the following methods:
 Scroll with the mouse wheel

 Move the mouse pointer along the screen Y-axis with the right mouse button down

 Move the mouse pointer along the screen Y-axis with the left mouse button down and
the Ctrl key pressed

Use the up and down arrow keys with the Ctrl key pressed

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be rotated around the molecule X-axis using the following
method:
Use the up and down arrow keys with the Alt key pressed

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be rotated around the molecule Y-axis using the following
method:
Use the left and right arrow keys with the Alt key pressed

Mouse and Keyboard Bindings for View Windows

A molecule in a view window can be rotated around the molecule Z-axis using the following
method:
Use the left and right arrow keys with both the Ctrl and Alt keys pressed
New View Window on Startup

By default, a new View Window is automatically created each time GaussView launches.
You can prevent this by unchecking the "New View Window on Startup" box in the "Window
Behavior" section of the "GaussView Preferences" dialog.