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.