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SimonBoothroyd / plotmol

Interactive plotting of data annotated with molecule structures.
MIT License
10 stars 4 forks source link

change molecule style and atom highlighting based on smarts #8

Open pavankum opened 2 years ago

pavankum commented 2 years ago

Description

Few edits to make the rdkit images more readable. Additional argument in molecule style to hide hydrogens and to highlight a specific smarts.

Status

davidlmobley commented 2 years ago

Maybe share sample images here too, @pavankum - what you posted in Slack was very very nice.

pavankum commented 2 years ago

@davidlmobley I added a sample html plot in the examples folder on this PR. One has to download it though, adding an image here screen