Friday 03 June 2022 – Saturday 11 June 2022

This course will cover broad ground in the application of extreme conditions crystallography. The topics will span from fundamentals of high-pressure single crystal and powder diffraction, to presenting the many flavours of static and dynamic compression, to reviews of sources for extreme conditions work (synchrotrons, neutrons and free electron lasers).

These workshops will be focused on basic laboratory skills and the elements of data processing software related to high pressure crystallography.

CCDC are pleased to present 2 workshops in the program, to introduce the Cambridge Structural Database (CSD) and how it can support high-pressure crystallography research.

 

The Cambridge Structural Database - Learning from one million crystal structures

First session

Date: Wednesday, 8th June

Time: 2:30 PM - 6:00 PM (CEST)

Location: Erice, Italy

 

Second session

Date: Thursday, 9th June

Time: 2:30 PM - 6:00 PM (CEST)

 

Structural databases such as the Cambridge Structural Database (CSD) contain a wealth of information that can be used to derive new knowledge. This lecture will introduce you to the CSD, with insights on high pressure structures, and how you can use small molecule structural data in your research. We will show you how access the database using ConQuest, and how to construct effective searches of the database and of the CSD subsets, such as the high pressure subset.
We will also briefly introduce the CCDC’s visualization software Mercury and then explore tools from the CSD Software to assess structural stability, in particular studying intermolecular interactions for small molecules using Full Interaction Maps (FIMs).
You will get the opportunity to use the software and hands-on exercises designed to help you explore the CSD further will be provided.

 

Learn more here.