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

From Rizzo_Lab
Jump to: navigation, search
Line 12: Line 12:
= 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 16:19, 12 February 2020


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