Target Library
The Target Library (also called Packs) lets you save and organize receptor-ligand bundles for reuse across docking sessions. Instead of re-uploading files each time, save a pack once and load it with one click.
Overview
| Property | Value |
|---|---|
| Access | Target Library (sidebar) |
| Pack contents | Receptor PDB + Ligand SDF + Scoring config |
| Storage | Server-side, tied to your account |
| Sharing | Not yet supported |
What's in a Pack
A Target Library pack bundles everything needed for a docking job:
- Receptor - Prepared PDB file (protonated, waters removed)
- Ligands - SDF file with compounds to dock or score
- Pocket definition - Center coordinates and radius
- Scoring profile - Optional custom weight profile
- Metadata - Target name, PDB ID, notes
Creating Packs
From IsoPose
After submitting a docking job, you can save the receptor + ligand combination as a pack:
- Complete a docking run in IsoPose
- Click Save as Pack in the results panel
- Name your pack and add optional notes
- The pack appears in your Target Library
From Target Prep
After preparing a receptor with Target Prep:
- Complete the 4-step preparation pipeline
- Click Save to Library
- The prepared receptor is saved as a new pack
From LZ Packs
Pre-validated benchmark bundles can be added to your library:
- Browse LZ Packs
- Click Add to My Library
- The full bundle (receptor + ligands + validated profile) is copied to your Target Library
Using Packs
When starting a new docking job in IsoPose:
- Click the Pack Selector dropdown at the top
- Choose a saved pack
- The receptor and ligands are loaded automatically
- Submit the job - no file uploads needed
Managing Packs
- Rename - Click the pack name to edit
- Delete - Remove packs you no longer need
- Download - Export pack contents as a ZIP file
- Notes - Add experimental notes or target information