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.
- 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
(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 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 menu.The color scheme can be changed from the .
- 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