Define Custom ASL Sets Dialog Box
Define atom sets for energy calculations over a trajectory, by atom selection.
To open this dialog box: in the Trajectory Player, click the Plot button and choose Energy Calculations → Custom ASL Sets.
- Features
- Additional Resources
Define Custom ASL Sets Dialog Box Features
- Set name text box
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Enter the name to use for the set.
- Atom set picking tools
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Select the atoms to include in the energy group atom set. The sets must not overlap: any atom can belong to only one set.
This is a standard set of tools. The full set of features in this tool set is described in Picking Tools.
- Add Set button
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Add the set defined above to the list of sets. When the set is added, the selection tools are cleared and a new default set name is entered in the Set name text box, for the next set.
- Set list
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Lists the sets added with the selection tools. The columns show the name entered for each set, the ASL expression used, and the number of atoms. The full ASL expression is displayed in a tooltip, if it is truncated in the column. You can select a set for deletion.
- Delete Set button
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Delete the set that is selected in the list.