REFMAC

  • carries out rigid body, tls, restrained or unrestrained refinement against Xray data, or idealisation of a macromolecular structure. It minimises the coordinate parameters to satisfy either a Maximum Likelihood or Least Squares residual. There are options to use different minimization methods. (At the moment only CGMAT is active.) REFMAC also produces an MTZ output file containing weighted coefficients for SigmaA weighted mFo-DFcalc and 2mFo-DFcalc maps, where missing data have been restored.

Developers

Garib Murshudov

Categories

X-ray Crystallography

Versions

Citations

Winn et al. Macromolecular TLS refinement in REFMAC at moderate resolutions. Meth Enzymol (2003) vol. 374 pp. 300-21

Vagin et al. REFMAC5 dictionary: organization of prior chemical knowledge and guidelines for its use. Acta Crystallogr D Biol Crystallogr (2004) vol. 60 (Pt 12 Pt 1) pp. 2184-95

Technical Notes

How to cite: Click here.

License Type

This software is distributed under a Non-Profit license.

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