The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment – Olex2 dissected

By L. Bourhis, O. Dolomanov, R. Gildea, J. Howard, H. Puschmann. Acta Crystallographica Section A: Foundations and Advances, 2015

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An in-depth presentation is given of olex2.refine, the new refinement engine integrated in the Olex2 program.