articleTop 1% cited

OLEX2: a complete structure solution, refinement and analysis program

Journal of Applied Crystallography · 2009 · Vol. 42(2) · pp. 339–341

Oleg V. Dolomanov✉(Durham University)Luc J. Bourhis(Durham University)Richard J. Gildea(Durham University)Judith A. K. Howard(Durham University)Horst Puschmann(Durham University)

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Abstract

New software, OLEX2 , has been developed for the determination, visualization and analysis of molecular crystal structures. The software has a portable mouse-driven workflow-oriented and fully comprehensive graphical user interface for structure solution, refinement and report generation, as well as novel tools for structure analysis. OLEX2 seamlessly links all aspects of the structure solution, refinement and publication process and presents them in a single workflow-driven package, with the ultimate goal of producing an application which will be useful to both chemists and crystallographers.

X-ray Diffraction in Crystallography Crystallography and molecular interactions Crystal Structures and PropertiesWorkflowComputer scienceVisualizationSoftwareComputational scienceGraphical user interfaceInterface (matter)Process (computing)Programming languageSoftware engineering

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