2020 DOCK tutorial 1 with PDBID 3VJK

Introduction

Generate an INSPH file

A Header

   hi

   [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