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The Cambridge Structural Database (CSD), curated by the Cambridge Crystallographic Data Centre (CCDC) and a reference in crystallochemistry, lies at the interface of chemistry and structural biology. In addition to a very comprehensive database of over one million organic and metal-organic crystal structures, the CCDC develops and curates the CSD Software, which harnesses the wealth of information in the database to help scientists gain new insights in their structures.

The next European Crystallographic Meeting (ECM33) will be held in Versailles from 23 to 27 August 2022. Before the opening of this meeting, the French Network of professional crystallographers  (ЯÉCIPROCS), the structural biology group of the French Association of Crystallography (AFC) and the CCDC wish to bring together chemists and biologists in a 'satellite' workshop on the tools of the CSD. After a general presentation and demonstration of the available tools, a more practical part requiring the use by the participants of their own laptops (internet access and electrical plugs required) will take place. 

Who might be interested in this workshop?

  • Chemical crystallographers who want to explore and understand crystal structures.
  • Protein crystallographers who want to verify the geometry of their ligands.
  • Structuralists and biochemists wishing to discover and/or develop new ligands.
  • Materials scientists wishing to synthesize new materials and optimize their properties.
  • Teachers wishing to demonstrate the applications of structural chemistry to students.

Preliminary program

  • 9:00 - 10:30:  Visualisation: Mercury (small molecules) and Hermes (proteins)
  • 11:00 - 12:30: Analysis of molecular structure with Mogul for chemical and biological crystallographers
    [lunch break]
  • 13:30 - 16:00: Advanced analysis: intermolecular interactions with Full Interaction MapsCSD-Materials overview, and basics of protein-ligand docking with GOLD  
     (with a 10 minute break between CSD-Material and GOLD)

Practical information

Date: 23-8-2022, 9h-16h
Place: University Campus Versailles (45 avenue des États-Unis, Versailles, close to the ECM33 congress center)
Fees: free of charge
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Registration closed

You do not need to have a valid CSD license for participating to this workshop: all the material required for the session will be provided in advance.

You have to take care yourself for a hotel room if needed. A lunch will be provided on the day of the workshop. You should be aware that although that there are no inscriptions fees that by registering to this workshop you  have the moral obligation to be  present at the workshop or to cancel your registration at an early time. Note that you are not obliged to register to the ECM33 meeting in order to participate to this workshop.

Do you have questions? Please contact the main organizers, Cette adresse e-mail est protégée contre les robots spammeurs. Vous devez activer le JavaScript pour la visualiser. (CCDC) and/or Cette adresse e-mail est protégée contre les robots spammeurs. Vous devez activer le JavaScript pour la visualiser. (CNRS, France).

Organizing committee: Clément Falaise (Versailles), Ilaria Gimondi (Cambridge), Nathalie Guillou (Versailles), Arie van der Lee (Montpellier), Lionel Mourey (Toulouse), Jean-Denis Pédelecq (Toulouse), Christian Philouze (Grenoble),  Laure Vendier (Toulouse),  Suzanna Ward (Cambridge). 

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