render_2d_structure
Generate 2D structure images of molecules from SMILES or structure files (mae/sdf/pdb). Optionally label each structure with a property value and save the PNG to disk.
Instructions
Render molecules as a 2D structure image (PNG) shown inline. Provide either a list
of smiles or an input_path to a structure file (mae/sdf/pdb/...). For files you can
pass legend_property (e.g. 'r_i_docking_score') to label each structure with that
value. Also writes the PNG to disk.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| smiles | No | ||
| input_path | No | ||
| legend_property | No | ||
| output_path | No | ||
| max_structures | No |