IUCr 2021 - Virtual Workshops

Session One

Session Two

Session Three

Depositing and publishing data through the CSD and the ICSD

Searching and visualising metal-organic structures in the CSD

Searching and visualising inorganic data in the ICSD

In this session you will explore some tips and tricks to search and analyse metal-organic structures by:

• Learning how to deposit small molecule structural data using our joint
• Learning how to check the novelty and integrity of your data
• Learning how to access, edit and revise your structures.

• Learning more advanced searching options in ConQuest.
• Familiarising with using subsets in ConQuest.
• Learning how to export and analyse hitlists in Mercury.

The workshop will focus on metal-organic structures, but the functionality will be of use to scientists interested to other structures in the CSD too.

• Providing an overview of the various ways to search ICSD.
• Detailing different search strategies the combination of search results, use of keywords or structure types.
• Showing examples how you can specifically search for, analyse and work on inorganic or theoretical structures for your research.
• Demonstrating the classical interface as well as the use of the ICSD API.

Materials:

• Exercise Handout
• Notes Slides
• Example files:
  • Example 1
  • Example 2

Materials:

• Exercise Handout:
  • Beginner
  • Advanced
• Notes Slides

Materials:

• Exercise Handout
• Notes Slides

Requirements:

• This workshop is designed for complete beginners but will include some advanced tips and tricks for more familiar users.

Requirements:

• Basic knowledge of Mercury would be useful.
• If not, consider completing our CSDU Visualisation 101 Module before the event.
• Basic knowledge of ConQuest would we useful
• If not, consider reviewing our self-guided searching workshop before the event.
• A current, valid CSD licence - CSD-Core or above.

If you do not have a valid license email us on hello [at] ccdc.cam.ac.uk (hello[at]ccdc[dot]cam[dot]ac[dot]uk).

Requirements:

• This workshop is designed for complete beginners but will include some advanced tips and tricks for more familiar users.
• A current valid ICSD license.
• If you do not yet have a valid license we are prepared to offer a test password on request – email us on icsd [at] fiz-karlsruhe.de (icsd[at]fiz-karlsruhe[dot]de) for more details.