2020 DOCK tutorial 1 with PDBID 3VJK
From Rizzo_Lab
Revision as of 15:19, 12 February 2020 by Stonybrook (talk | contribs)
Introduction
Generate an INSPH file
[your_receptor].dms R //Spheres will be generated outside the protein surface X //All points are used 0.0 //Distance that steric interactions are checked 4.0 //Maximum sphere radius of generated sphere 1.4 //Size of sphere that rolls over dms file surface for cavities [your_receptor].sph
II. Preparation of the ligand and receptor
Download the pdb file 2P16 from PDB database save it in 001.files folder.
