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What parallelization options are available for ligand docking?
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Andrew Orry
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Apr 22, 2024, 10:54:12 PM
Apr 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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