SMILES to PDBQT Converter

Convert SMILES to PDBQT in two steps: generate a 3D PDB from SMILES, then transform the structure into PDBQT text for docking-ready workflows.

Technical Workflow

• Step 1: the tool requests 3D PDB coordinates from a public SMILES conversion endpoint.
• Step 2: PDB atom lines are rewritten into PDBQT-style records with atom type and charge columns.
• Use this quick converter for drafts; fine-tune protonation and torsion settings in docking software when needed.