CCDC Virtual Workshop: ConQuest to Mercury â€" From Searching to Data Analysis
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In Online
If you are looking to search for crystal structures in the Cambridge Structural Database (CSD) to gain insights into your own structures and trends in the database, and you wish to improve your searching skills and enhance them with deeper structural analysis tools, then this free, 90-minute, hands-on workshop is for you!
The Cambridge Structural Database (CSD) now contains data for over 1.25M organic and metal-organic crystal structures. The database is fully discoverable and accessible and CoreTrustSeal certified data repository; it is used by researchers across the pharmaceutical, agrochemical, and fine chemicals industries to predict and guide future discoveries.
In this free 90-minute hands-on CCDC Virtual Workshop, you will learn hands-on the how to search the CSD using ConQuestand how to gain more insights into the results using the Data Analysis module in Mercury.
What we will cover
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:
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How to set up a search of the CSD using ConQuest.
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Tips and trick on searching in ConQuest and how to define 3D parameters for further analysis.
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How to export ConQuest results to Mercury and analyse them with the Data Analysis module.Â
The workshop will be recorded and all registered participants will have access to the recording.
Software requirements
As this is an interactive workshop, you’ll need access to ConQuest and Mercury.
All academic licenses give you access to the full range of features covered in this workshop. If you are unsure whether your institution already has a license, please get in touch with us using the form on the Contact Us webpage.
If you do not have access to the CSD, we can provide you with a temporary licence. When you register, please check "No" to the question:Â "Do you or your institution have a current full CSD licence?" and we'll get you set up.
If you have already got the CSD installed you will need to check you have the most up to date version of the software. Click here for more information.
Entry requirements
This workshop is open to everyone who wants to learn hands-on how to search, visualize and analyse structures in the CSD, from beginners to experienced users.
Familiarity with the basics of Mercury would be ideal. If you have not used Mercury before, we would recommend the following module from our on-demand CSDU courses:
 Who should attend?
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Crystallographers and structural scientists.
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Academic and industrial chemists interested in exploring molecules in the solid form.
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PhD and post-doc researchers in the field of crystallography and materials science.
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Researchers and scientists who work with the CSD or their own structural databases.
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Industrial scientists using structural informatics to design new materials.
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Educators looking to incorporate the CSD into their teaching.
