Due to NGLView (the Python module) having a frozen older IPywidget version it breaks Colab and the major change for the latter library was a year ago (early 2023), so I am forced to revisit old code and switch to py3Dmol in my Colab demos. Today I figured out how to use custom carbon colours.
Showing posts with label compchem. Show all posts
Showing posts with label compchem. Show all posts
Monday, 22 January 2024
Sunday, 2 July 2023
A note on PLIP interactions
PLIP is a handy tool to enumerate the interactions of a given ligand. However, a few of tripping point I keep having is related to the fact the interactions are namedtuples. Here are some notes to circumvent the traps.
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