Analysing molecular geometries 101 - basics of Mogul

Introduction

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.

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 loaded molecule.

Requirements

or

  • 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.


GUSRER entry Mogul results


Well done on completing the module!

Next Steps

Feedback

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.

 

Find your next CSDU module!


CSDU logo