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
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How to run a geometry check in Mercury.
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How to launch Mogul from Mercury.
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How to interpret the results obtained.
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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
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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. |
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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. |
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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!
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Well done on completing the module!
Next Steps
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