Crystal Engineering using the Cambridge Structural Database
Organizer: Ioana Sovago (Cambridge Crystallographic Data Centre CCDC, UK)
Date: 18th August 2019
Time: 9 a.m. – 4 p.m.
Room: 51 Kontaktraum
Fee: free of charge
This workshop will involve training on Crystal Engineering applications of the CSD, and associated software, with real case studies including the following:
• Polymorph assessment using Hydrogen Bond Propensity
• Structural analysis using Full Interaction Maps
• Geometry Check Analysis
• Knowledge-based Co-Crystal Design
• Hydrate and Solvate crystal structure analysis
Please bring your own laptop, power cable and adapter for European plug. Plugs and wlan connection will be provided.
Please ensure that you have install the full CSD suite prior the Workshop.
To find out more about our Workshop Materials please visit our website:
www.ccdc.cam.ac.uk/Community/educationalresources/workshop-materials/
More information about the CCDC activities and talks during the conference can be find here:
www.ccdc.cam.ac.uk/News/Events/Event-848eb506-c8ed-43d5-aa8c-2f4a4c8520f6
Also see: www.ecm2019.org/exhibitors-sponsors/list-of-sponsors-exhibitors
www.ecm2019.org/exhibitors-sponsors/list-of-sponsors-exhibitors/
Workshop Agenda:
09:00-12:00 Morning session
09:00-10:45 • Polymorph assessment using Hydrogen Bond Propensity
• Structural analysis using Full Interaction Maps
• Conformational analysis using Mogul Geometry Check
10:45-11:00 Coffee break
11:00-12:00 • Hydrate Structure Analysis
12:00-13:00 Lunch break
13:00-17:00 Afternoon session
13:00-14:30 • Knowledge-based Co-Crystal Design
14:30-14:45 Coffee break
14:45-15:45 • Solvate Structure Analysis
15:45:16:00 • Q&A Session