Difference between revisions of "2020 DOCK tutorial 1 with PDBID 3VJK"
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==Introduction== | ==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 | ||
Revision as of 15:15, 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
