6.1. File menu

6.1.1. New

It returns to the state immediately after startup.

Hint

The shortcut is Ctrl+N .

6.1.2. Open

Read the molecular structure from file into the main window. It corresponds to the format of various software.

Hint

The shortcut is Ctrl+O .

6.1.3. Open Recent File

Open a recently opened file.

6.1.3.1. Clear History

Empty the history of recently opened files.

6.1.4. Open Project

Open project file with wmpj extension.

Hint

The shortcut is Ctrl+Alt+O .

6.1.5. Open Recent Project

Open a recently opened project file.

6.1.5.1. Clear History

Empty the history of recently opened project files.

6.1.6. Reload

Load the file displayed in the title of the main window again.

6.1.7. Append

Add the molecular structure of the selected file to the molecular structure displayed in the main window.

6.1.8. Save

Overwrite and save the molecular structure displayed in the main window.

For details, see Save As .

Hint

The shortcut is Ctrl+S .

6.1.9. Save As

Save the molecular structure displayed in the main window as a different name.

It is recommended that you enter the file name and the folder name including all files (all upper layers) with one-byte alphanumeric characters only.

  • If multi-byte characters such as double-byte alphanumeric characters or Japanese characters or spaces are included, some processing may cause problems.
  • Underscores can be used.

When saving an input file of various solvers, a file is created based on the contents of Keyword Editor and Coordinate Viewer.

If the keyword of the solver you want to save is not displayed in Keyword Editor, Configuration window will open automatically. For MOPAC, GAMESS, Gaussian, NWChem, the coordinates are output in the format selected in File ‣ Coordinate Format.

Hint

The shortcut is Shift+Ctrl+S

6.1.10. Import

It reads a specific type of molecular structure.

6.1.10.1. SMILES

Molecular structure is generated from SMILES format string and read into the main window. When Import SMILES window opens, enter the SMILES format string in the text box and press Import button. Internally, conformational search by Bolloon or OpenBabel is also executed at the same time. A working folder named *_smiles_tmp will be created as an intermediate file.

6.1.11. Export

Outputs the contents displayed in the main window in the selected format.

6.1.11.1. SMILES

It outputs the molecular structure displayed in the main window as SMILES formatted character string. It can not be used when multiple molecules are displayed in the main window. I use OpenBabel on Cygwin.

Warning

To use this function, CygwinWM setup is required.

6.1.11.2. Structural Formula

The image of the structural formula of the molecular structure displayed in the main window is output in SVG format. It can not be used when multiple molecules are displayed in the main window. I use OpenBabel on Cygwin.

Warning

To use this function, CygwinWM setup is required.

6.1.11.3. Image

Outputs the contents displayed in the main window in BMP or JPG format.

6.1.11.4. VRML

Outputs the contents displayed in the main window in VRML format.

6.1.11.5. CHARMM crd File

Outputs the contents displayed in the main window in crd format for CHARMM.

6.1.12. Open in Text Editor

Open the file displayed in the title of the main window with the text editor selected in the configuration window.

Note

After editing with the text editor, selecting Reload , you can reflect the change on the main window.

6.1.13. Show in Explorer

Open the directory one level higher than the file displayed in the title of the main window.

6.1.14. Coordinate Format

Specify the display format in Coordinate Viewer and the coordinate format when saving the file in MOPAC, GAMESS, Gaussian, NWChem format.

Hint

You can also switch on tabs at the top of Coordinate Viewer.

6.1.15. Exit

Quit Winmostar.