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Docking

Tools for loading and analyzing molecular docking results (GOLD format).

Commands

/docking load

Load docking results from a directory.

/docking load /path/to/gold_results

/docking info

Display docking summary information.

/docking info

Shows number of poses, scoring function, protein/ligand info.

/docking cluster

Cluster docking poses by RMSD.

/docking cluster 2.0     # Cluster with 2.0 Å cutoff

/docking split

Split multi-pose file into individual poses.

/docking split

/docking centroid

Show cluster centroid (representative pose).

/docking centroid 1       # Show centroid of cluster 1

/docking list

List all docking poses with scores.

/docking list

/docking help

Show docking tool help.

/docking help

/docking panel

Open the docking analysis panel.

/docking panel

/docking showrepre

Show representation for a specific pose.

/docking showrepre 1