scripts for download data and use autodock vina in python.
in this repository I prepared codes to download and Dock compounds to protein, automaticly.
for Docking we need a receptor(likd proteins) and a ligand(like compound).
in this repository I use rcsb protein databank for download receptros and ZINC database for dowloand ligands.
I search in ZINC by inchikey, and in rcsb by gene_names. any query can be wirte and send to these database to search and find desired match.
I use Autodock Vina to dock protein-ligand pairs. Autodock vina has python implementation.