ligand_interaction_diagram
Generate a 2D diagram of a protein-ligand complex highlighting hydrogen bonds, salt bridges, pi-pi, and pi-cation interactions with a legend mapping to protein residues.
Instructions
Render a 2D ligand-interaction diagram (PNG, shown inline) for a protein-ligand complex or Glide pose-viewer file: the ligand drawn in 2D with the atoms that make interactions highlighted by type (blue=H-bond, red=salt bridge, green=pi-pi, orange=pi-cation) and a legend mapping them to protein residues. Also writes the PNG.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| input_path | Yes | ||
| ligand_asl | No | ||
| ligand_index | No | ||
| output_path | No |