autodock_vina_auto

scripts for automated docking using autodock vina

1. Use Autodock Tools to prepare your protein and determine your grid for docking
2. download Autodock Vina and move or set up a hard link to your usr/local/bin directory if using linux
3. download and install obabel
4. set parameters in the config.txt file
5. create/download a ligand libary file in SDF or smi format
6. if smi , run smi_to_sdf first to convert smile strings to SDF format
7. run vino_auto.sh to start docking experiment

If you run into into any problems refer to documentation associated with each tool