- step-0 cloning this repository, command line basics
- step-1 ligand preparation
- step-2 analysis of receptor conformations from the PDB
- step-3 modeling the receptor to successfully dock imatinib
- step-4 launching the virtual screening
- step-5 visually inspecting the virtual screening
- step-6 python scripting
Each step has its own folder, with a README file, and the required files. However, the tutorial is designed to be run sequentially, making it possible to use the files produced in the prior step instead.