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Crystallization Chemistry, Physics Target age group: Elementary…
https://www.ccdc.cam.ac.uk/media/Web-Crystallization.pdf5 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 -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/CSDC-Deposition.pdf6 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. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/CSDC-AccessStructures.pdf9 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. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Introduction-to-IsoStar.pdf13 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. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Introduction-to-Hermes.pdf13 Jun 2023: Materials For this workshop we will use the files that you can download from here. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Subset-search-ConQuest.pdf19 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. -
MOG-001 1 Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/HG-Mogul-Intro-MOG-001.pdf19 Jun 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download from this link. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Introduction-to-ConQuest.pdf19 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 -
Introduction to the CSD Python API (PYAPI-001) 2023.1 CSD ...
https://www.ccdc.cam.ac.uk/media/Introduction-to-API.pdf23 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 -
Advanced search and analysis using the CSD Python API ...
https://www.ccdc.cam.ac.uk/media/Advanced-search-with-API.pdf23 Jun 2023: https://visualstudio.microsoft.com/downloads/). PYAPI-002. 4. Activating the command line 1. For this exercise we will be writing the script in a Python file that we can then run
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