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The Results Page

The results page is where you spend most of your time in PocketDock. It's a two-column layout: an interactive 3D viewer on the left, and a sortable results table with detail panels on the right.

Results page overview

Page layout

Region Contents
Left (≈ 65% width) 3D viewer with three tabs — 3D Binding Site, 2D Interaction Map, Interaction Details
Right sidebar Results table, selected pose info, detected pockets summary, export buttons

The active row in the results table drives everything else: the 3D viewer loads the selected pose, the pose info panel updates, and the interaction tabs show that pose's contacts.

The results table

Results table with columns Pocket, Probability, Affinity, Score

One row per docked pose. With default settings (3 pockets × up to 9 poses) you'll see up to 27 rows.

Column Description Sortable
Pocket Pocket rank badge (1, 2, …) and pose number within that pocket Yes
Prob. Pocket probability (P2Rank), shown as a percentage Yes
Affinity Vina binding affinity in kcal/mol — more negative is better Yes
Score Combined score (0–1) — default sort Yes

Click any column header to sort. Click a row to load that pose into the viewer and update the detail panels.

Visual cues

  • The Affinity cell has a green-gradient background — strong binding (more negative kcal/mol) is darker green; weak binding fades to white.
  • The Score value is colored: green for > 0.6, yellow for 0.3–0.6, gray for < 0.3.
  • The selected row is highlighted; hover shows a subtle background change.

Selected pose info panel

Below the table, the Selected Pose panel summarizes the currently active pose:

Selected pose info panel

Field Meaning
Pocket Which pocket the pose is in
Pose Pose number (1 = best, up to 9)
Affinity (kcal/mol) Vina score for this pose
Pocket Probability (%) P2Rank score for the parent pocket
RMSD LB / UB Lower / upper bound of the pose-uncertainty RMSD vs. the best pose in the same pocket
Combined Score Weighted blend of pocket probability and normalized affinity
Ligand Efficiency −affinity / heavy_atoms — annotated as Good / Moderate / Poor
Binding Strength Estimated dissociation constant (Kd) and a strength category (Very Strong → Very Weak)

See Interpreting Results for how each number is calculated and what to make of it.

Detected pockets summary

The pockets PocketDock chose to dock against are listed as badges:

Detected pockets summary with composition bars

Each badge shows:

  • Pocket rank (e.g., Pocket 1)
  • Probability as a percentage
  • P2Rank score
  • Druggability — derived from the probability:
    • > 80% → Highly druggable
    • 50–80% → Moderately druggable
    • < 50% → Low
  • Composition bar — stacked horizontal bar showing the residue-type breakdown of the pocket lining: hydrophobic, polar, positive, negative, special.

These let you eyeball whether a pocket looks plausible (for example, a pocket dominated by hydrophobic residues with a positive ligand may be a poor match).

Exports

Three export buttons sit at the top of the results page:

  • Download CSV — the full results table with columns: pocket_rank, pocket_probability, pose_rank, affinity_kcal_mol, rmsd_lb, rmsd_ub, combined_score.
  • Export 2D Map PNG — saves the current 2D interaction diagram as a PNG.
  • Export Interactions CSV — saves the detailed per-interaction table for the selected pose.

You can also right-click the 3D viewer and use the in-canvas Save image as option to export the current 3D view as PNG (also available as a button in the viewer toolbar).

Sharing the results

The page URL is stable and shareable: http://<host>/jobs/<job_id>/. Anyone with the link can view the same results, including the interactive 3D viewer (the underlying PDB and PDBQT files are served from /api/jobs/<job_id>/files/<path>). There's no per-job authentication, so don't post links publicly if your input structures are confidential.

Where to next