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How to: Search Metal Organic Frameworks with CCDC’s ConQuest
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CCDC’s Matthew Stout presents a brief ConQuest tutorial on how to search the Cambridge Structural Database (CSD) for metal organic frameworks (MOFs). The CSD MOF collection contains more than 10,500 metal organic framework crystal structures that are free to use in academic research. In this ConQuest tutorial, Matthew walks us through the steps required to search complex MOFs, from loading the metal organic framework subset to analysing the resulting hit list.
More ConQuest tutorials:
In this video:
- 00:00 : Opening and introduction
- 00:21 : Loading the Metal Organic Framework Subset
- 01:17 : Carrying out the ConQuest Search
- 04:01 : Visualising the distance between centroids
- 04:12 : Analysing the data
SUMMARY
- Open CCDC’s ConQuest and load the MOF subset
- Change to your preferred display style
- Use the dipyridylammonium ligand as the basis of the search
- Use Mercury’s Data Analysis module for hit list analysis
Follow us on social media:
Instagram: @ccdc_cambridge
Twitter: @ccdc_cambridge
Facebook: Cambridge Crystallographic Data Centre (CCDC)
Leave us a comment with questions or suggestions for future videos!
More ConQuest tutorials:
In this video:
- 00:00 : Opening and introduction
- 00:21 : Loading the Metal Organic Framework Subset
- 01:17 : Carrying out the ConQuest Search
- 04:01 : Visualising the distance between centroids
- 04:12 : Analysing the data
SUMMARY
- Open CCDC’s ConQuest and load the MOF subset
- Change to your preferred display style
- Use the dipyridylammonium ligand as the basis of the search
- Use Mercury’s Data Analysis module for hit list analysis
Follow us on social media:
Instagram: @ccdc_cambridge
Twitter: @ccdc_cambridge
Facebook: Cambridge Crystallographic Data Centre (CCDC)
Leave us a comment with questions or suggestions for future videos!
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