In this workshop, you will explore a workflow to have an in-depth look at trends and behaviours of defined 3D parameters, such as inter- and intra- molecular distances, angles and torsions, and crystallographic parameters for relevant groups of structures in the CSD. The session will include presentations and demonstrations by CCDC expert tutors and a hands-on part for you to try the software, with the tutors available to help you and answer your questions.
You will learn:
- How to set up a search of the CSD using ConQuest.
- Tips and tricks on searching in ConQuest and how to define 3D parameters for further analysis.
- How to export ConQuest results to Mercury and analyse them with the Data Analysis module.
The workshop will be recorded and all registered participants will have access to the recording.
You will learn:
- How to set up a search of the CSD using ConQuest.
- Tips and tricks on searching in ConQuest and how to define 3D parameters for further analysis.
- How to export ConQuest results to Mercury and analyse them with the Data Analysis module.
The workshop will be recorded and all registered participants will have access to the recording.
