CCDC news

Ana Machado
[March]
The 11th March 2025 Virtual Workshop uses the CSD Python API.

CCDC Free Virtual Workshops

Registrations are open for a new series of free virtual workshops — a series of hands-on guided training sessions where you learn how to use different components of the Cambridge Structural Database (CSD) software. These sessions are open to beginners and more experienced users of the CSD software.

The format is 90 minutes and Show One, Try One, Explore More:

    • Show One: a guided demo of the software by the CCDC tutors.
    • Try One: hands-on examples for you to try, with CCDC tutors on hand to help.
    • Explore More: learning outcomes recap, challenges and quizzes.

In the upcoming workshops, you will learn how to access and search data using the CSD Python API, understand the intramolecular geometry of the molecules in your structures, and explore and visualize structures in the CSD:

    • Search and Access Structural Chemistry Data With the CSD Python API


        ◦ 11th March - 16:00 (GMT)/17:00 (CET)/12:00 (ET).


    • Validate Molecular Conformations With Informatics Software Mogul


        ◦ 25th March - 9:30 (GMT)/10:30 (CET)/17:30 (CST).


    • Introduction to Mercury and ConQuest Software To Investigate Crystal Structures With a Focus on Powder Diffraction


        ◦ 8th April - 13:00 (BST)/14:00 (CEST)/8:00 (EDT).

[April]The 8th April 2025 Virtual Workshop puts the focus on powder diffraction.

More CCDC events in 2025

    • CMAC Open Days 2025


        ◦ 18–20 March, Technology & Innovation Centre, Glasgow, UK.


    • Cambridge Festival 2025


        ◦ 22nd March, Cambridge, UK.


    • 4th SCI-RSC Workshop on Computational Tools for Drug Discovery 2025


        ◦ 8th April, Leeds, UK.


    • BCA Spring Meeting 2025


        ◦ 14-17 April, Leeds University, UK.


    • ICDD: PPXRD-18 – XRD Training for the Pharmaceutical Scientist


        ◦ 6-9 May at the CCDC office in Cambridge, UK.


    • PhD Student Science Day 2025


        ◦ 19th June at the CCDC office in Cambridge, UK.

 

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New How-To Video: search and visualize 3D structural data using WebCSD

Watch a step-by-step demonstration of how to search and visualize 3D structural data using WebCSD — the online platform of the CSD. You will learn how to draw a substructure query using WebCSD’s intuitive sketcher, add 3D parameters with constraints (e.g. distances and angles), and see the tools available for exploring an entry’s 3D structure.

 

Free On-Demand Online Training

Pharmacophore Searching 101 — Introduction to CSD-CrossMiner

CSD-CrossMiner is software that allows you to build pharmacophore queries and simultaneously mine the CSD, the Protein Data Bank (PDB) and your proprietary structural data to quickly identify off-target effects, alternative scaffolds, similar binding sites, interaction motifs, bioisosteres and more.

Start learning today!

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30 January 2025

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