Step 9b - Molecule Orientation

For the distance vs axis angle we’ll visualise the results side-by-side. Add two more graph gizmos to the existing workspace and given them suitable names.

Comparison workspace tab

Right-click in the empty workspace and add a Graph gizmo to it

Rename the new gizmo from the workspace menu and call it Orientation (Reference)

On the gizmo’s toolbar, change the view style from XY to Auto3D

Right-click on the empty graph and select Add Data2D

Only two 2D datasets exist, both related to the CalculateAxisAngle module - choose the one tagged “@reference”

Let’s get our refined simulation data:

Add another Graph gizmo to the workspace and rename it to Orientation (Refined)

Open the CalculateAxisAngle module in a tab if it isn’t already open

Right-click on the distance/angle plot data

From the Copy to… menu select Orientation (Refined).

Back on the workspace tab we now have both datasets visible.

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