CCDC Webinar: Unlock new insights by analysing disorder, voids, and porous materials using structural informatics
Date of Event
21 September 2023
Thursday, 21st September 2023
4 pm (BST) / 11 am (EDT)
Comprehending and analysing various disorder configurations is crucial in structural analysis and informatics. This knowledge empowers researchers to make informed decisions, undertake risk assessments, and unlock new insights into the underlying structures.
Join this webinar where we will cover topics including:
- How to improve the representation of disordered structures in Mercury and the CSD Python API
- Analysis of disorder in the CSD and CIF files.
- Use Mercury tools with disordered structures.
- How to use the new tools for analysis of void space
- Use the Pore Analyser tool in Mercury to investigate void space.
- High-throughput analysis of void space using the CSD Python API.
Who should attend:
- Students and chemistry educators wanting to learn more about disorder
- Cheminformatics/Data scientists
- Solid form scientists
- Scientists researching MOFs and porous materials