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 properties鈥攑ore surface area, void diameter, dimensionality鈥攏ow accessible in Mercury and via the CSD鈥疨ython API.
2- Advanced Disorder Modelling
See how disorder is no longer suppressed鈥攐ver 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 API鈥攊mproving clarity and insight in your workflows.
3- CSD 6.00 Data Format Upgrade & What鈥檚 Next
Understand how CSD鈥�6.00鈥檚 updated data format underpins both the new metadata and disorder features, and supports future enhancements. We鈥檒l demonstrate how the format streamlines workflows, and preview some features in future releases鈥攍ike expanded disorder, publication metadata, mmCIF support, and structure optimisation tools.
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 properties鈥攑ore surface area, void diameter, dimensionality鈥攏ow accessible in Mercury and via the CSD鈥疨ython API.
2- Advanced Disorder Modelling
See how disorder is no longer suppressed鈥攐ver 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 API鈥攊mproving clarity and insight in your workflows.
3- CSD 6.00 Data Format Upgrade & What鈥檚 Next
Understand how CSD鈥�6.00鈥檚 updated data format underpins both the new metadata and disorder features, and supports future enhancements. We鈥檒l demonstrate how the format streamlines workflows, and preview some features in future releases鈥攍ike expanded disorder, publication metadata, mmCIF support, and structure optimisation tools.
