Ucsfdock: Difference between revisions
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ucsfdock is a Python package wrapping the [[DOCK|DOCK program]] that provides tools to help standardize and automate the computational methods surrounding molecular docking. | |||
Scripts: | Scripts: | ||
Revision as of 07:54, 28 July 2022
ucsfdock is a Python package wrapping the DOCK program that provides tools to help standardize and automate the computational methods surrounding molecular docking.
Scripts: - blastermaster: given receptor and ligand, generate a specific docking configuration - dockmaster: evaluate many different docking configurations in parallel using a provided job scheduler (e.g. Slurm)
Installation
- TODO
Quickstart
blastermaster
- TODO
dockamster
- TODO