I've tried almost everything I can think of, including changing from bsh to zsh in the terminal. I tried it on windows and it worked so it isn't a problem with how I'm doing it but seems to be something about how it's installed on my mac. Running AutoDock Vina for 1C8K failed see Reply Log for more information Sorry, there are no Gasteiger parameters available for atom dock_cpb.ligand: :***1:OĪutodock Vina ligand docking initiated for 1C8K Wrote /Users/markgarbett/Desktop/Year_4_Project/Chimera_Files/dock_ However, it keeps failing and returning this: Terminii for 1C8K (#0) chain A determined from SEQRES recordsĬhain-initial residues that are actual N terminii:Ĭhain-initial residues that are not actual N terminii: #0 ILE 13.AĬhain-final residues that are actual C terminii: #0 PRO 842.AĬhain-final residues that are not actual C terminii:

Tutorial In this tutorial, the crystal structure of protease 1YT9 is used as the receptor for molecular docking, and the ligand IOS in the structure is used as the docking ligand molecule. I'm trying to do docking simulations on Chimera using autodock vina. This article will share with you the method of Autodock flexible docking (some amino acids of the protein are set to be flexible, and the docking ligand is flexible).

Autodock 4.2 for mac os