Difference between revisions of "2020 DOCK tutorial 1 with PDBID 3VJK"

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= II. Preparation of the ligand and receptor =
+
= A Header =
 
 
Download the pdb file 2P16 from PDB database save it in 001.files folder.
 

Revision as of 15:19, 12 February 2020

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


A Header