How to View Symmetry Elements and Operations in Mercury

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August 29, 2023

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  • This video shows you how to use CCDC’s Mercury free features to access and display information about symmetry elements and symmetry operators in crystal structures. We will show how to visualize the symmetry elements in crystal structures and how to access the list of symmetry operators. We will also see how to highlight molecules or molecular fragments which are symmetry-equivalent and how to visualize molecules that are related by individual symmetry operations. To download the free version of Mercury see: https://www.ccdc.cam.ac.uk/solutions/software/free-mercury/ In this video you will find: -00:04 Introduction to visualizing symmetry in Mercury -00:32 Loading a structure in the visualizer: example with structure CSD refcode ACSALA (aspirin) -01:05 Displaying symmetry elements in Mercury -02:16 Colouring molecules by symmetry equivalence -02:34 Colouring molecules by symmetry operation -02:50 Viewing the symmetry operators list -03:38 Example with structure CSD refcode CBMZPN12 (carbamazepine) -04:02 Summary and practice examples You can grow your skills with using Mercury for visualizing structures using the free CSDU module “Visualization 101 – Visualizing structural chemistry data with Mercury” here: https://www.ccdc.cam.ac.uk/community/training-and-learning/csdu-modules/visualization-101/ You can find examples of how Mercury and the CSD can be used to teach symmetry in general chemistry education and crystallography in this playlist: https://www.youtube.com/playlist?list=PLEtBZ08SGIScECmQvgvhZ0qXP3WWlBTnv Improve your knowledge of symmetry using the free CSD Teaching Subset, which you can access in the free version of Mercury. Find out more here https://www.ccdc.cam.ac.uk/community/education-and-outreach/education/teaching-subset

    Chemistry

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