Structure Superposition

Align and overlay structures, colored by RMSD.

Preview

About

Overlays two or more structures in one 3Dmol viewer and superposes each onto the reference by a quaternion Kabsch fit over shared Cα atoms (matched by residue number) — the optimal rotation found by power iteration, no SVD dependency. Structures are colored distinctly and mean Cα RMSD is reported; hover/click a residue to broadcast it through coordinate-link. The comparison surface behind ligand-site transfer and structural-dark-matter work.

Usage

import { StructureSuperposition } from "@/components/ui/structure-superposition"

<StructureSuperposition
  sources={[{ pdbId: "1HCL" }, { pdbId: "1B39" }]}
  labels={["apo", "active"]}
/>