1) Protein Prep
Single receptor workflow
Folder chooser count may include hidden items; only receptor file types are ingested.
1a) Box Generation
Lig
Resi
Chain
Residue
Å
Detected HETATM ligands
1b) Protein Preparation (3a)
HETATM to remove
Open a receptor to populate…
Chains to remove
Open a receptor to populate…
Backend
AltLoc
queued…
1c) Preparation
Select HETATMs and chains to remove for each receptor:
queued…
2) Ligand Prep
CSV column mapping
Required for CSV ligand input.
Optional if your CSV has no identifier column.
3) Build Job Package
Saved!