Welcome!Virtual-workshop-wb

Session One: Searching 1.1 million crystal structures in the CSD using ConQuest
  •  15 April 2021, 4pm (Beijing time) 

Session Two: Basic visualisation and analysis in Mercury 
  • 23 April 2021, 4pm (Beijing time)

Session Three: Depositing and publishing data through the CSD
  • 29 April 2021, 4pm (Beijing time)

 

Hereafter you will find the registration links and the material for the CCDC Virtual Workshops dedicated to our users in China. Please read for important information on the sessions and system requirements.

Format:

The training sessions are delivered by the Cambridge Crystallographic Data Centre (CCDC), the curators of the Cambridge Structural Database (CSD), a database of over 1.1 million organic and metal-organic crystal structures.

Please note the sessions are limited to 250 attendees so register/join early to reserve your place.

The sessions are suitable for new users or those wanting a refresher. The training will be delivered in English but for some parts Chinese subtitles will be available. 

  • Show one - the CCDC team will go through an example on their screen.
  • Try one - it's your turn, work through the example yourself - with the CCDC team online for support.
  • Explore more - a final challenge with a summary of the key points, and further examples to try in your own time.

Requirements:

  • You must have CSD-Core installed and up to date 
    • We will be using CSD 2020.3 
    • We will not be able to provide technical support during the session
  • No previous experience is necessary for this workshop.
  • We suggest downloading the exercise handout before the session.

 

Session One: 

Searching 1.1 million crystal structures in the CSD using ConQuest
Screenshot 2021-05-31 18.45.28

15 April 2021, 4pm (Beijing time)

You will learn:

  • About the Cambridge Structural Database (CSD) and data updates
  • How to search over a million published crystal structures using CCDC's desktop software ConQuest.
  • How to do text-based searches and construct 2D chemical searches 
  • How to combine queries and explore, save, and export the results
  • How to refine your results to structures in targeted subsets allowing you to explore drugs, pesticides, and MOFs in more detail

Download the exercise handout before the session. 

Session Two: 

Basic visualisation and analysis in Mercury    
workshop 2

23 April 2021, 4pm (Beijing time)

You will learn:

  • Familiarise yourself with the Mercury interface and basic options to visualise small molecule crystal structures
  • How to create high resolution publication ready images of your structures
  • How to visualise the packing and symmetry of a structure effectively

Download the exercise handout before the session.

Session Three: 

Depositing and publishing data through the CSD
workshop 3

29 April 2021, 4pm (Beijing time)

You will learn:

  • The requirements for depositing structural data into the CSD and ICSD
  • How to use the online deposition process prior to publication
  • The basics of how to check the novelty and integrity of your data
  • What happens to your data after submission and how to access, edit and revise your data.

Download the exercise handout before the session.