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28 Mar 2023: 1. A short guide to Crystallographic Information Files A CIF or Crystallographic Information File is the standard format for storing crystallographic structural. data. CIF information has a specific structure or format that needs to be followed to

5 May 2023: Crystallization Chemistry, Physics Target age group: Elementary school students (12-16 yo) Description: This learning module exposes students to the concept of crystallization and some methods to get crystallization to occur. Students will be able

6 Jun 2023: and-resources/downloads/ 10. A CCDC account is required for downloading the example files. ... 4. Click Retrieve Deposited Files; this will allow you to download a zip file.

9 Jun 2023: PubChem. 11. Conclusion. 12. Example 4. Downloading. 13. Download options from initial results page. ... 8. You now have a CIF file containing both structures saved to your specified downloads location.

13 Jun 2023: PDB? 12. Go back to the IsoStar website and download the phenyl group information. ... Exercises • Download the IsoStar CSD data for the interaction of a charged pyridine ring.

13 Jun 2023: Materials For this workshop we will use the files that you can download from here.

19 Jun 2023: Table of Contents Introduction. 2. Learning Outcomes. 2. Pre-required Skills. 2. Materials. 2. Loading subsets. 3. Restricting searches to a subset. 4. Conclusions. 5. Exercises. 6. Summary. 6. Next Steps. 6. Feedback. 6. Glossary. 7. Review.

19 Jun 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download from this link.

19 Jun 2023: Table of Contents Introduction. 2. Learning Outcomes. 2. Pre-required Skills. 2. Materials. 2. Overview of ConQuest. 3. Introduction to the Draw Window. 4. ConQuest sketching conventions. 4. Example 1. Searching for Similar Molecules. 5. Viewing

23 Jun 2023: Materials. For this workshop you will need the file example.cif that you can download here. ... https://visualstudio.microsoft.com/downloads/). PYAPI-001. 4. Example 1: Demonstrating Input and Output. Aim. This example will focus on understanding the