3. Main Window

3.1. Role of each part

The window (called Main Window ) that appears after starting Winmostar has the configuration shown below.

In the title of Main Window, the name of the file currently being edited, the license and version of Winmostar in use are displayed.

main_window_EN

Toolbar

Here you can also select commonly used functions in the main menu. You can check the role of each button by overlaying the pointer. In addition, only the following functions perform special operations.

  • Depending on the solver selected in the Solver pull-down menu solver (default is MOPAC) in the first row of the upper toolbar, the role of buttons such as Configure, Run will change.

  • Depending on the element selected in the Select element used in editing operations pull-down menu, the behavior of Add Atom and Change Element buttons beside it will change.

Viewport

The molecular structure currently being edited is displayed. By default, the structure where carbon atom (green) and hydrogen atom (yellow) are bonded is displayed.If the View ‣ Items ‣ Information menu is checked, detailed information will be displayed at the top and bottom.Red circle indicates atom selection marker.In group selection state, atoms are surrounded by blue circles.You can toggle the number displayed on the side of each atom and the type of charge value from the View ‣ Labels/Charges menu.The color scheme can be changed from the Tools ‣ Preferences ‣ View .

Keyword Editor

The contents set in the configuration window of each solver are displayed. By default MOPAC settings are displayed.

Coordinate Viewer

The coordinates of each atom of the molecular structure displayed in Viewport are displayed.You can switch the display format and output format on the upper tab.By default Z-Matrix is selected.In a state where no group is selected, the line selected in Coordinate Viewer matches the atom with the marker (red circle).Group selection (blue circle) can be done by selecting multiple lines by Ctrl+left click or Shift+left click.

Coordinate Editor

You can enter the coordinates (Z-Matrix or XYZ format) of the atom with the marker (red circle) and the optimization flags.

Keyword Editor (secondary)

It is basically the same as Keyword Editor, but the contents entered here will appear after the coordinates in the input file of the solver. It is used only for some solvers such as GAMESS and Quantum ESPRESSO.

3.2. Mouse controls

In Viewport, you can operate with the mouse as shown in the table below. Details on how to select molecules/atoms can be found in Select menu.

Modifier
Key
Left click
Left drag
Right click
Right drag/
Wheel

None

Move marker

Roll camera

Replace with fragment

Zoom in/out

Shift

Select molecule
or unselect

Pan camera

Delete atom

Ctrl

Select each atoms
or unselect

Select atoms in rectangle area

Note that you can also zoom in or out by left-dragging the right end of Viewrport.

3.3. Shortcut keys

In Main Window you can use the shortcut keys in the table below.

Basic operations

New

Ctrl+N

Open

Ctrl+O

Save

Ctrl+S

Save As

Shift+Ctrl+S

Undo

Ctrl+Z

Redo

Ctrl+Y

Cut Group

Ctrl+X

Copy Group

Ctrl+C

Paste Group

Ctrl+V

Help

F1

Modelling

Replace with Fragment

F6

Add Atom by Specifying Position

F4

Delete atom

Shift+F4

Add/Change Bond

F7

Delete Bond

F8

Move Atom (Translate)

F5

Change Element

Shift+F5

Add Hydrogens to All Atoms

Ctrl+H

Delete Group

Ctrl+D

Build Ring

F9

Modifying structure

Quick Optimization

Ctrl+G

Move Group (Direct)

Ctrl+M

Rotate Around Axis (2 Marked Atoms)

Ctrl+R

Rotate Around Axis (3 Marked Atoms)

Ctrl+A

Change Optimization Flags of Group

Ctrl+I

Adjust All Bond Length

Ctrl+J

Orbit Group Around Marked Atom

Ctrl+F

Quick Optimization for Group

Ctrl+L

Controlling Display

Zoom In

F3

Zoom Out

F2

Fit to Window

Ctrl+4

Align View

Ctrl+1, 2, 3

Show Keyword Editor & Coordinate Viewer

F10

Export Image

Ctrl+Alt+I

Copy Image

Ctrl+Alt+C