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Tutorial 2 of CSDU “Programmatic access to the CSD 101 – CSD Python API”: text-numeric searches

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September 11, 2023

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  • Learn how to use the CSD Python API with this CSDU module “Programmatic access to the CSD 101 – CSD Python API”. In this tutorial you will learn how to set up a query in the CSD Python API to search the CSD for text-numeric information. In this demo tutorial we will cover: - 00:04 Learning outcomes. - 00:12 How to build a text-numeric search, what it means to add queries to it, and how to run it. - 01:50 How to look at the hits resulting from a CSD Python API search. - 02:40 How to clear the query to avoid combining queries. - 02:58 Examples of how to search metadata from an experiment. - 03:46 Example of how to combine queries. You can download the python scripts used in this demo from the CSDU module webpage: https://www.ccdc.cam.ac.uk/Community/educationalresources/CSDU/csd-python-api-101/ This video forms part of a short course that introduces scientists – including crystallographers and cheminformaticians, and developers to the basics of a Python API that allows you to explore over one million small molecule structures through videos, demonstrations, guided tutorials, and a test that can be completed at the end to earn a certificate. After watching this video, continue your CSDU module with the U Try and U Test parts of this module on our website to earn a completion certificate: https://www.ccdc.cam.ac.uk/Community/educationalresources/CSDU/csd-python-api-101/ Find the previous videos in this playlist: https://www.youtube.com/playlist?list=PLEtBZ08SGISeIbg8ptS9V2f2VAynj1aVx Note: This is not a Python course. A basic knowledge of Python and coding is required to make the most out of this module. Follow us on social media: Instagram: @ccdc_cambridge Twitter: @ccdc_cambridge Facebook: Cambridge Crystallographic Data Centre (CCDC) (ccdc.cambridge)

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