PDBe tools in GitHub

Slides are available from here.

The video is available from Youtube.

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Jupyter notebooks for packages that were discussed in this webinar can be found below. You can also access them using our GitHub repository.

• pdbecif
  • Structure reading
    • Dictionary output
    • CIFWrapper output
    • CifFile output
  • Structure writing
• pdbeccdutils
  • Structure reading
  • Component object
    • Scaffolds
    • Fragments
    • Molecular depictions
  • Structure writing
  • Parity method
  • Scripts
• arpeggio
  • Precomputed data
  • Example
  • arpeggio script
  • arpeggio API
  • Excercise