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Programmatic search and analysis using the CSD Python API

21 April 2021 15:00-16:30, Cambridge, United Kingdom


Introduction
In this workshop you will learn how to programmatically access the CSD using our Python API by:
  • Familiarising yourself with how CSD entries are represented in the CSD Python API.
  • Learning how to access CSD entries.
  • Learning how to read different file formats.
  • Learning how to run a search and output results.
Format:
  • Show one - our team will go through an example on their screen.
  • Try one – It’s your turn, work through the example yourself – with our team on the line for support.
  • Explore more – we’ll summarise the key points, and give you further examples to try in your own time.
Requirements:
  • Familiar with Python. This workshop will NOT cover how to use Python, but rather how to use the CSD-Python API
  • Familiar with Mercury. If not, consider reviewing our self-guided visualisation workshop before the event. 
    • Self guided workshop: https://www.ccdc.cam.ac.uk/support-and-resources/ccdcresources/Structure_visualizations.pdf
  • Ideally familiar with the CSD-Core (previously, CSD-System).
  • A current, valid CSD licence - CSD-Core or above.
  • Temporary licence: if you are not a current user you can request a temporary licence to participate - email hello@ccdc.cam.ac.uk to enquire
Venue
The Cambridge Crystallographic Data Centre

12 Union Road, The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, United Kingdom

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