glide_dock
Dock prepared ligands into a Glide grid and score them with SP or XP precision. Returns a job ID; after completion, use summarize_docking for ranked results.
Instructions
Dock prepared ligands into a Glide grid and score them. precision is 'SP'
(standard, default) or 'XP' (extra-precision, slower). ligands_path should be a
LigPrep-prepared file. Long-running — returns a job_id. When complete, run
summarize_docking on the produced *_pv.maegz for a ranked GlideScore table.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| grid_path | Yes | ||
| ligands_path | Yes | ||
| precision | No | SP | |
| poses_per_ligand | No | ||
| njobs | No |