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.
See [[pydock3]].


Scripts:
[[Category:Deprecated]]
- 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

Latest revision as of 22:56, 24 May 2024

See pydock3.

Retrieved from "http://wiki.docking.org/index.php?title=Ucsfdock&oldid=16060"