Visualizing Prime Energy Terms
The Prime energy and its components from an Analyze Energy job, a WM/MM job, or an MM-GBSA job can be visualized in the Workspace, by using the Prime Energy Visualizer Panel. This panel also supports visualization of other properties, such as the partial charge, ligand strain, solvent accessibility, residue interactions, and membrane permeability. The visualization colors the structure and an optional molecular surface by the values of a chosen property or sum of properties.
To open the Prime Energy Visualizer Panel, choose click the Tasks button and browse to Biologics → Visualize Energy.
Figure 1:The Prime Energy Visualizer panel.
The structure whose properties you want to visualize must be displayed in the Workspace. If the Workspace is empty, you are prompted to display a structure.
To visualize a property and its components:
| 1. | Choose the property family to display from the Family option menu. |
| 2. | Select the property that you want to display. |
| 3. | Click Visualize to color the structure according to the values of the selected property. |
For details see the Prime Energy Visualizer Panel topic.