Difference between revisions of "2020 DOCK tutorial 1 with PDBID 3VJK"
From Rizzo_Lab
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| − | [your_receptor].dms | + | [your_receptor].dms |
| − | R //Spheres will be generated outside the protein surface | + | R //Spheres will be generated outside the protein surface |
| − | X //All points are used | + | X //All points are used |
| − | 0.0 //Distance that steric interactions are checked | + | 0.0 //Distance that steric interactions are checked |
| − | 4.0 //Maximum sphere radius of generated sphere | + | 4.0 //Maximum sphere radius of generated sphere |
| − | 1.4 //Size of sphere that rolls over dms file surface for cavities | + | 1.4 //Size of sphere that rolls over dms file surface for cavities |
| − | [your_receptor].sph | + | [your_receptor].sph |
Revision as of 16:33, 12 February 2020
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
