articleTop 1% cited
Completion and refinement of crystal structures with<i>SIR</i>92
Journal of Applied Crystallography · 1993 · Vol. 26(3) · pp. 343–350
Abstract
An automatic procedure for recovering a complete crystal structure after a direct phasing process is described. The procedure consists mainly of a Fourier recycling method that can be implemented in any direct-methods package. The residual R value attained at the end of the process provides an estimate of the degree of success of the structure determination. The procedure can also be applied using a small molecular fragment as prior information. The procedure has been implemented into SIR92, the successor to SIR88.
Crystallization and Solubility StudiesEnzyme Structure and FunctionCrystallography and molecular interactionsPhaserResidualDirect methodsFourier transformProcess (computing)Crystal structureComputer scienceFragment (logic)AlgorithmCrystal (programming language)
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