Hey guys,
I have successfully performed the docking of compounds with a single receptor as shown in the video tutorial, futhermore i was also able to perform the docking of my custom ligand library with the example Human Glucokinase protein.
Now I want to perform docking of my custom ligand library with 20 protein receptors, how can i do it, what are the changes i have to make in all.ctrl file and config files of the docking programs?
Any help is appreciated. Thanks
Hello har_vf and welcome to the forum!
What you are looking for is this:
docking_scenario_names=qvina02_rigid_receptor1:smina_rigid_receptor1
docking_scenario_programs=qvina02:smina_rigid
docking_scenario_replicas=1:1
docking_scenrio_inputfolders=…/input-files/qvina02_rigid_receptor1:…/input-files/smina_rigid_receptor1
Please have a look at our documentation page:
Hey Sorin,
I have set up VFVS, I forgot to remove my query, But still thanks for the reply.
But as you already here, can you please tell me that can we use multiple proteins in VFVS? As of my understanding, we can dock numerous ligand at one time but we can only dock them with a singe protein. Correct me if I am wrong. Thanks