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

  1. TODO

Quickstart

blastermaster

  1. TODO

dockamster

  1. TODO
Retrieved from "http://wiki.docking.org/index.php?title=Ucsfdock&oldid=14431"