Tag
RDKit
Molecular Modeling Meeko Tutorial: Prepare Ligands and Receptors for Vina Prepare ligands and receptors for AutoDock Vina with Meeko. Learn mk_prepare_ligand, mk_prepare_receptor and mk_export with real commands and fixes. Dr. Abdul Rajjak Shaikh 13 min read Molecular Modeling How to Extract a Ligand from a PDB File (PyMOL, ChimeraX) Pull the bound ligand out of a PDB complex, restore its bond orders and hydrogens, and use it to centre your docking… Dr. Abdul Rajjak Shaikh 12 min read