analyze_interactions
Analyze protein-ligand interactions (hydrogen bonds, salt bridges, pi-pi stacking, pi-cation) in a complex or Glide pose-viewer file, returning a structured interaction report.
Instructions
Analyze protein-ligand interactions (hydrogen bonds, salt bridges, pi-pi stacking,
pi-cation) in a complex or Glide pose-viewer (*_pv.maegz) file. For a pose-viewer the
first entry is the receptor and ligand_index (default 2) selects the pose; for a
single complex give a ligand_asl. Returns a structured interaction report.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| input_path | Yes | ||
| ligand_asl | No | ||
| ligand_index | No |