Parameter name | Parameter value |
---|---|
Docking sphere | 10 Ã… |
Input site sphere | Â |
 x | 48.65 |
 y | 82.55 |
 z | 54.04 |
Number of HPTPot | 100 |
Docking tolerance | 0.25 |
Docking preference | User specified |
Max hits to save | 10 |
Max number of hits | 100 |
Minimum LibDock score | 100 |
Final score cutoff | 0.5 |
Max BFGS steps | 50 |
Rigid optimization | False |
Max conformation hits | 30 |
Max start conformations | 1,000 |
Steric fraction | 0.10 |
Final cluster radius | 0.5 |
Apolar SASA cutoff | 15.0 |
Polar SASA cutoff | 5.0 |
Surface grid steps | 18 |
Conformation method | Best |
Minimization algorithm | Do not minimize |
Parallel processing | True |