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Webinar: Structural Insights with CSD 6.00: New Data Fields, Disorder Modelling & Future Improvements

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In Online

Chemical crystallography Data analysis

The latest Cambridge Structural Database (CSD) 6.00 release brought many improvements and innovations. During this live webinar, we will explore the new and improved features and demonstrate them in Mercury and the CSD Python API.

  1. The New Data Fields for Enhanced Analysis
    Discover how new fields let you filter for data quality and enhance downstream analyses of the over 1 million structures in the CSDs. Plus, look into computed MOF propertiesâ€"pore surface area, void diameter, dimensionalityâ€"now accessible in Mercury and via the CSD Python API.

  2. Advanced Disorder Modelling
    See how disorder is no longer suppressedâ€"over 165,000 structures now feature fully modelled major and minor conformations. Learn to visualize and switch these in Mercury, utilise color-coded disorder components, and programmatically access disorder via APIâ€"improving clarity and insight in your workflows.

  3. CSD 6.00 Data Format Upgrade & What’s Next
    Understand how CSD 6.00’s updated data format underpins both the new metadata and disorder features, and supports future enhancements. We’ll demonstrate how the format streamlines workflows, and preview some features in future releasesâ€"like expanded disorder, publication metadata, mmCIF support, and structure optimisation tools.

Who should attend:

  • Crystallographers, materials scientists, and computational chemists;

  • Researchers working with crystal structures.

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