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CCDC Virtual Workshop: How to analyse molecular geometry with Mogul

When

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Event Type

  • Member Submitted

Wednesday, 7th July from 10am to 11:30AM (BST)
 
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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 by learning:

  • 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:

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

If not, consider reviewing our self-guided visualisation workshop before the event.

  • A current, valid CSD licence – CSD-Core or above.

Last Updated on June 25, 2021 by event.submitter
Categories: Member Submitted


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