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This page is about how to clean up your AWS account after you have finished docking. Recall that you are likely going to want to return here in a 8-10 weeks when you have purchased compounds and tested them and you want to do some follow up docking.

option 1

Leave everything as is. Advantage. you lose nothing. Disadvantage: you pay for storage

option 2

Delete the raw output in S3, retaining only the merged and sorted results and the overall set up with dockfiles and so on. Advantage: easy to resume calculations. Disadvantages: few. You wont have every score of every molecule, so you might have to re-dock some tranches if you want to look at that.

option 3

Delete everything from AWS S3, after downloading critical data to your own local host. Advantage: minimal monthly storage costs. Disadvantage. You would need to re-sync the data to resume docking.

option A

Set the storage option to automatic/glacier. Advantage: This will reduce your long-term storage costs. Disadvantage: you may have to wait hours to access your files. This is compatible with all options above.