Rerefine bio-macromolecular crystal structures using quantum mechanical methods. More accurate geometries, fewer artefacts, publication-ready results.
Combine the power of crystallographic refinement with quantum chemical accuracy for macromolecular structure determination.
Replace classical restraints with quantum mechanical energy surfaces. Get physically meaningful geometries that better fit the experimental data.
Built on CCTBX — the Computational Crystallography Toolbox — ensuring robust, well-tested crystallographic algorithms at the core.
Developed by researchers from Phenix and Pending AI, bridging structural biology and computational chemistry.
The science behind Q|Refine, published in peer-reviewed journals.
Q|Refine is open source and free to use. Check the documentation to install, or explore the code on GitHub.