generate_glide_grid
Generate a docking grid for Glide by defining the binding site center through explicit coordinates or a bound ligand reference. Returns a job ID; the grid file is stored in the job directory for subsequent docking.
Instructions
Build a Glide docking grid from a prepared receptor. Specify the binding-site
center either explicitly via center [x,y,z] or by giving ligand_ref (a file
containing a bound ligand whose centroid defines the site). Long-running — returns
a job_id; the grid (<grid_name>) lands in the job dir and is the input to glide_dock.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| receptor_path | Yes | ||
| center | No | ||
| ligand_ref | No | ||
| inner_box | No | ||
| outer_box | No | ||
| grid_name | No | grid.zip |