Mogul Geometry Check can help identify inconsistencies within a crystal structure and can suggest values to be used for restraints during refinement. 

In this workshop you will explore how to use Mogul to assess the geometry of a molecule using the information in over 1.1 million structures in the CSD.

 

Learning Outcomes

  • How to run a geometry check in Mercury.

  • How to launch Mogul from Mercury.

  • How to interpret the results obtained.

  • How to restrict the geometry check to a specific feature of a molecule loaded.

 

Requirements

  • Mercury installed and a current valid CSD licence active (CSD-Materials or CSD-Enterprise). For installation and licences visit the FAQs.

or

  • Feeling comfortable with basics of Mercury visualisation:
    • Navigating the Mercury interface.
    • Editing styles and colours.
    • Displaying packing diagrams.

This module takes less than 2 hours to complete.

 

Ok - Let's begin!

Your CSDU Module

U Watch

 Playlist - 40 minutes

 The slides are available here. If YouTube is not available in your country, you can contact us for alternative access to the videos.

U Try

 Handout - 30 minutes

 Try it yourself! Follow the examples given to learn how to run a Mogul geometry check and analyse the results.

U Test

 Quiz - 10 minutes

 Test what you have learnt in this quick quiz to finish the module and receive a completion certificate.

 You will need to score 10/10 to receive the completion certificate. Do not worry if you don't pass it at the first attempt: you can take this test multiple times!

It may take up to few hours to receive your certificate. If you do not receive it within a day, please contact us!

 

Well done on completing the module!

 

Next Steps

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