How to create actives and decoys for dockopt: Difference between revisions

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.

Revision as of 21:52, 16 February 2023 (view source) Frodo (talk \| contribs) (asdf) ← Older edit		Latest revision as of 21:53, 16 February 2023 (view source) Frodo (talk \| contribs) (asdf)
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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.