OpenBabel [1] offers several functions including file format conversion, generation of 3D structures from smiles, and so on. In this article, we are going to generate multiple conformers of a ligand using OpenBabel. ContentsGenerating low-energy conformersReferences We will use the command-line tool of OpenBabel. Let’s say, we have an sdf file of a ligand and … Continue reading How to generate multiple conformers of a ligand using OpenBabel?