Shape Parameter

The Shape parameter analysis is a compact descriptor of global shape that complements radius of gyration and asphericity. It helps distinguish different anisotropic shape regimes along a path or trajectory.

Adding the plot

1. Open Path Analyzer.
2. Choose Shape parameter in Observable.
3. Choose a Path.
4. Define the Group to analyze.
5. Click Add Time Series or Add Histogram.

Inputs

• One atom-containing selection is required.

Views

• Time series: follow the descriptor along the path.
• Histogram: inspect preferred shape regimes.

Tip

• Use it when you care about global shape trends, not just compactness.
• Interpret it alongside Asphericity and Radius of gyration rather than in isolation.