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 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_tmpwill 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.