A global optimization method for the molecular replacement problem in X-ray crystallography

DOI10.1007/S10107-005-0587-2MaRDI QIDQ1780962zbMATH OpenOpenAlexFDO

Authors Diane C. Jamrog, George N. Phillips, Richard Tapia, Yin Zhang

Publication date 14 June 2005

Published in Mathematical Programming. Series A. Series B (Search for Journal in Brave)

Full work available at URL http://hdl.handle.net/1911/101989

zbMATH Keywords

Global optimizationGlobal searchX-ray crystallographyMolecular replacement problemMulti-start local optimizationSurrogate function

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Statistical mechanics of crystals (82D25) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• scientific article; zbMATH DE number 1857681 (Why is no real title available?)
• scientific article; zbMATH DE number 852532 (Why is no real title available?)
• Sizing the BFGS and DFP updates: Numerical study

Cited in

(1)

• \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction

Describes a project that uses

Uses Software

• MOLREP
• CCP4
• X-PLOR

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