Crystallographic refinement - PowerPoint PPT Presentation

Refinement of Macromolecular structures using REFMAC5

Refinement of Macromolecular structures using REFMAC5. Garib N Murshudov York Structural Laboratory Chemistry Department University of York. Contents. Introduction Considerations for refinement Overall parameters TLS Dictionary and alternative conformations Twin

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Motivation

Motivation Sensors and actuators are used in several military functions including surveillance, reconnaissance, navigation, etc. Phase-transforming oxides, including ferroelectric materials, exhibit unique potential for multi-functionality (see figure). Scientific challenge

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