I need to up lode the protein ligand complex in pdb format for finding the binding parameters.
pdbqt(similar to, say.pdb, or.xyz) is one of the file formats OpenBabel may readandwrite. It is not an executable / library likeobgrep, or theobguiare. If working well,pdbqtshould be visible as input / output in the GUI of OpenBabel, or -- from the CLI / cmd.exe --the command...