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Holographic methods in X-ray crystallography. IV. A fast algorithm and its application to macromolecular
J R Somoza1, H Szöke, D M Goodman
1Department of Chemistry and Lawrence Berkeley Laboratory, University of California, Berkeley 94720, USA.
Abstract:
The holographic method makes use of partially modeled electron density and experimentally measured structure-factor amplitudes to recover electron density corresponding to the unmodeled part of a crystal structure. This paper describes a fast algorithm that makes it possible to apply the holographic method to sizable crystallographic problems. The algorithm uses positivity constraints on the electron density and can incorporate a 'target' electron density, making it similar to solvent flattening. The potential for applying the holographic method to macromolecular X-ray crystallography is assessed using both synthetic and experimental data.
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