How to create actives and decoys for dockopt: Difference between revisions
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Download the results from TLDR and format into tgz files. | Download the results from TLDR and format into tgz files. | ||
repackage in a format that dockopt expects. | |||
Latest revision as of 21:53, 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.
repackage in a format that dockopt expects.