CCDC Virtual Workshop: How to analyse small molecules interactions with Full Interaction Maps.

Date/Time
Date(s) - 14 Jul 2021
12:30 pm - 2:00 pm

Location

Categories

• Member Submitted

Wednesday, 14th July from 12.30pm to 2pm (BST)
 
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In this workshop you will explore tools from the CSD Software to assess structural stability, in particular studying intermolecular interactions for small molecules using Full Interaction Maps (FIMs). You will:

• Learn how informatics and data-driven approaches can be used to understand the solid state.
• Familiarise yourself with what tools are available in the CSD-Materials suite and what they can be used to do.
• Learn how to use Full Interaction Maps to analyse a structure.

Requirements:

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

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

• A current, valid CSD licence – CSD-Material or above. (Temporary licence is available for those without)