Analysing molecular geometries 101 - basics of Mogul
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 from over 1.1 million structures in the CSD.
- 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 loaded molecule.
- Mercury installed and a current valid CSD licence active (CSD-Materials or CSD-Enterprise). For installation and licences visit the FAQs.
- Having completed the Visualization 101 – Visualizing structural chemistry data with Mercury CSDU module.
- Feeling comfortable with basics of Mercury vizualisation:
- Navigating the Mercury interface.
- Editing styles and colours.
- Displaying packing diagrams.
This module takes less than 2 hours to complete.
Your CSDU Module
The slides are available here. If YouTube is not available in your country, you can contact us for alternative access to the videos.
Try it yourself! Follow the examples given to learn how to run a Mogul geometry check and analyse the results.
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!
How was it? Leave your feedback here – it takes less than 5 minutes.
Ready for more?
Head back to the CSDU home page and continue learning.