What parallelization options are available for ligand docking?

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Andrew Orry

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Apr 22, 2024, 10:54:12 PMApr 22
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Q. What parallelization options are available for ligand docking?
A.

_dockScan has two options for parallelization

  • proc=<n_jobs>    # per-ligand parallelization (will not speed-up individual ligands)
  • MCproc=<n_MCjobs>   # number of Monte Carlo jobs per ligand (will speed-up docking of individual large ligands)


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