Direct Force Field User Manual

Toolbar

The toolbar is located on the top of DFF main screen, right below the command panel. It provide quick commands for viewing and editing.

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Each bottom in the toolbar is a command. They are organized by blocks starting from the left.

The first block is used for files, which are used for creating a model, opening a model, and saving a model.

The second block is for mouse editing, which include undo, redo, select element, add atom, delete atom, replace atom, add hydrogen, remove hydrogen, add bond, delete bond, relax structure, change bond orders to single, partial double, double and triple, and move atoms. Select one of these command, and then the mouse to act on the screen.

The third block is for mouse functions of viewing. Use the arrow button to select objects for additional mouse operations. Other buttons are used for rotating, dragging, zooming and centralizing of the model selected. Select one of the buttons and use the mouse to accomplish the task.

The forth block is a pulldown menu for labeling, various properties can be shown for atoms or molecules.

The last block is for force field operations. Selecting typing rule and assign atom types, show and editing the selected force field (PPF).

Additional Mouse Operations

Click the selection (arrow) button in the command bar panel to activate the mouse selection function. Once it is activated, click on an atom will pick up the atom. You can also press the left button and drag the mouse to select multiple atoms. You can cut, copy, and paste the selected atoms, to the same model but different location (where the mouse point is) and to a different model.

The common short-cut keys are supported, the combination keys Ctrl + C, Ctrl +X and Ctrl + V are used for cutting, copy and paste respectively. In addition, Ctrl + V and Ctrl + Y are used for undo and redo, which are the same as the undo and redo buttons in the toolbar.