How to create actives and decoys for dockopt: Difference between revisions
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How to create actives and decoys for dockopt | 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 == | |||
[[Category:DOCK 3.8]] | [[Category:DOCK 3.8]] | ||
Revision as of 21:52, 16 February 2023
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.