Move Selected Atoms Panel

Move the atoms selected in the Maestro workspace through translation or rotation. This tool is helpful in moving atoms that are part of both simple and complex systems such as dimers, organometallic complexes, disordered systems, coarse grained systems, and periodic structures. If no atoms are selected, then all atoms in the workspace are translated or rotated. The name of this dialog box and the options present may vary according to the location from which it is opened.

To display this panel, do one of the following: click the Tasks button and browse to Materials → Tools → Move Selected Atoms

The following licenses are required to use this panel: MS Maestro

  • Features
  • Additional Resources

Move Selected Atoms Panel Features

Translation section

Specify the magnitude and direction of the translation.

Axes text boxes

Specify the distance to translate the selected atoms in angstroms. You can translate atoms along the X-axis, Y-axis, and Z-axis separately or in any combination. Negative, positive, and zero values are allowed.

Translate button

Translate selected atoms in the X, Y, and Z directions by the distances specified in the Axes text boxes. If no atoms are selected, then all atoms in the workspace are translated.

Rotation section

Specify the magnitude and direction of the rotation. The selected atoms rotate around the center of mass of the selected atoms.

Axes options

Select the axis (X-axis, Y-axis, or Z-axis) to rotate the atoms about.

Degrees text box

Specify the number of degrees to rotate the atoms by. Values in the range of -360 to 360 degrees are allowed.

Rotate button

Rotate selected atoms about the chosen axis by the specified number of degrees. If no atoms are selected, then all atoms in the workspace are rotated.

Show coordinate axes option

Display the Cartesian coordinate axes of the structure in the Workspace. These axes rotate as you rotate the view. Viewing the coordinate axes gives a better idea of what direction the atoms are translated or rotated.

Status bar

Use the Reset button to reset the panel to its default settings and clear any data from the panel. If the panel has a Job toolbar, you can also reset the panel from the Settings button menu.

If you can submit a job from the panel, the status bar displays information about the current job settings and status for the panel. The settings include the job name, task name and task settings (if any), number of subjobs (if any) and the host name and job incorporation setting. The job status can include messages about job start, job completion and incorporation.

The status bar also contains the Help button , which opens an option menu with choices to open the help topic for the panel (Documentation), launch Maestro Assistant, or if available, choose from an option menu of Tutorials. If the panel is used by one or more tutorials, hover over the Tutorials option to display a list of tutorials. Choosing a tutorial opens the tutorial topic.

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