How to create actives and decoys for dockopt

From DISI
Revision as of 21:52, 16 February 2023 by Frodo (talk | contribs) (asdf)
Jump to navigation Jump to search

How to create actives and decoys for dockopt


Get the list of actives.smi .

Create decoys using TLDR. or command line

Build 3D of the actives using TLDR

Build 3D of the decoys using TLDR

Download the results from TLDR and format into tgz files.


special instructions if you are in the Shoichet Lab

Retrieved from "http://wiki.docking.org/index.php?title=How_to_create_actives_and_decoys_for_dockopt&oldid=15173"