Docking software such as Autodock4 [1] and Autodock Vina [2] require input receptor and ligand files in a specific format called pdbqt. Sometimes, preparing files using Autodock Tools (ADT) gives various errors that are not easily understandable. Especially, when we are performing virtual screening (VS), we need to convert a lot of files from pdb to pdbqt format. Converting … Continue reading Prepare receptor and ligand files for docking using Python scripts