Hi, Autodock Vina is a separate program (not inside Chimera) and you should check its website and the information there: <http://vina.scripps.edu/> The Chimera tool named “Autodock Vina” just connects to an outside web service that is running Autodock Vina. Because it is a shared resource, this web service does not allow very much sampling of space, and it only allows docking one small molecule at a time. If you want to do better (more intensive) sampling of space, and/or dock a lot of small molecules to compare to each other, you should download Autodock Vina from the website above and run Autodock Vina directly. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Mar 1, 2019, at 10:57 PM, temban billyhp <btemban@yahoo.com> wrote:
Hi, How should I vary docking parameters when carrying out ligand/receptor docking in order to obtain correct results. Is there any logical trend to follow. I have always used the default mode. Best regards