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Acta Crystallographica Section C Structural Chemistry· 2014Q3

<i>PLATON</i>SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors

Anthony L. Spek

Short summary

The PLATONSQUEEZE tool calculates the disordered solvent contribution to structure factors by back-Fourier transforming electron density from solvent-accessible regions, offering an alternative to atomistic models when continuous electron density is present.

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Field: Materials Chemistry

Materials ChemistryMaterials Science