Compute Topological Fingerprint (TDA)
compute_topology_fingerprintFetches an AlphaFold model and computes a rotation-invariant 64-D topological fingerprint from Cα coordinates, returning Betti numbers and method used for fold comparison.
Instructions
Compute a rotation-invariant topological fingerprint of a protein's fold.
Fetches the AlphaFold model for uniprot_id and derives an
exploratory 64-dimensional geometric/topological feature vector from
Cα coordinates. With GUDHI installed, H0 and H1 are computed on the
15-Å Vietoris-Rips 2-skeleton. H2 is NOT computed. Without GUDHI
only a 4-Å graph component count and geometric statistics are available.
Betti numbers describe this chosen filtration, not protein domains,
β-barrels, drug cavities, molecular function, or an experimental structure.
Returns the fingerprint vector, the Betti numbers, the residue count, and which
method ran. Full persistent homology needs the optional [tda] extra
(gudhi); without it a coarse fallback runs that does NOT compute persistent
homology, and the result flags this. Returns a no-structure result when
AlphaFold DB has no model for the accession. This is a coarse, geometry-only
summary — not a substitute for sequence alignment, RMSD, or functional-homology
assessment.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| params | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||