to perform vina against a database of ligands

Question

[bushrasiraj52]

I have 30000 compounds as ligands which I have to check against one receptor. How would I program vina to to run them altogether without manually writing a config file for each ligand to be docked. Any specific comman available using vina ??

Answer 1

[amitunited0532]

You can use PyRx tool for virtual screening, I think it will be best for your work. Link is given below.

https://sourceforge.net/projects/pyrx/files/