Compute Topological Fingerprint (TDA)
compute_topology_fingerprintCompute a topological fingerprint of a protein structure using persistent homology to extract Betti numbers and a 64-dimensional vector capturing connectivity, loops, and cavities.
Instructions
Compute a topological fingerprint for a protein structure.
Uses persistent homology (Vietoris-Rips filtration) over the Cα
coordinate cloud to derive a 64-dimensional fingerprint vector and
Betti numbers β₀, β₁, β₂. Requires gudhi (install with
pip install alphafold-sovereign-mcp[tda]); without gudhi, a
coarse fallback runs that does not compute persistent homology
(see _fallback_tda_fingerprint).
What the Betti numbers count, intuitively:
β₀ — connected components of the Vietoris-Rips complex at the chosen filtration scale. Distinguishes single-domain from multi-domain or fragmented chains.
β₁ — 1-dimensional holes / loops. Picks up ring-like topology (e.g. β-barrels, large macrocycles).
β₂ — 2-dimensional voids. Picks up enclosed cavities.
Topological features are invariant to rigid-body rotation and translation. They are not a substitute for sequence alignment, RMSD, or functional homology assessment; they are a coarse, geometry-only summary.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| params | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||