Clemens Isert cisert
cisert
/ highlight_atoms_3d.py
Created
February 9, 2022 10:48
Draw 3D molecule with highlighted atoms
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| import py3Dmol | |
| from rdkit import Chem | |
| def draw_mol_with_highlights(mol, hit_ats, style=None): | |
| """Draw molecule in 3D with highlighted atoms. | |
| Parameters | |
| ---------- | |
| mol : RDKit molecule | |
| hit_ats : tuple of tuples |