Ucsfdock
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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