DockQ
Compare predicted complexes with references using DockQ.
Results
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Method & evidence
Calculate native DockQ 2.1.3 scores for checksum-bound predicted and reference complexes with explicit mapping and alignment policy.
Scope & limitations
- DockQ is optional in the agent scoring Pipeline and runs only when explicitly requested.
Interpreting results
- DockQ measures structural agreement to the supplied reference; it does not measure affinity.
- Interpret results only after confirming chain mapping and alignment policy.
- Do not run DockQ without a scientifically relevant reference complex.
References
Input requirements & outputs
Input checks
- PDB or mmCIF model and reference structures
- Explicit reference structure for every scored row
- Up to 25 pairs in one native batch
Expected results
- DockQ and component scores — Compare DockQ, interface RMSD, ligand RMSD, and native-contact evidence.
- Native comparison evidence — Retain mapping, alignment, source checksums, row failures, and exact DockQ version.
