Skip to content

Instantly share code, notes, and snippets.

@matteoferla

matteoferla/best_template.ipynb

Last active December 12, 2023 09:54
Show Gist options
  • Star 0 You must be signed in to star a gist
  • Fork 0 You must be signed in to fork a gist
  • Save matteoferla/a9f4c7146ec0e6f3f5b1fc88240ce383 to your computer and use it in GitHub Desktop.
Save matteoferla/a9f4c7146ec0e6f3f5b1fc88240ce383 to your computer and use it in GitHub Desktop.
Download ZIP
Find the best Fragalysis template retrospectively. Namely, a compound was positioned against a template under an induced fit assumption, whereas for visualisation lock and key is needed.
Display the source blob
Display the rendered blob
Raw
best_template.ipynb
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment