http://wiki.docking.org/index.php?action=history&feed=atom&title=AWS%3ACleanup 2026-04-09T14:05:51Z Revision history for this page on the wiki MediaWiki 1.39.1 http://wiki.docking.org/index.php?title=AWS:Cleanup&diff=14795&oldid=prev 2022-09-14T21:29:10Z

<p>asdf</p> <p><b>New page</b></p><div><br /> * Tutorial 1: [[AWS:Set up account]]<br /> * Tutorial 2: [[AWS:Upload files for docking]]<br /> * Tutorial 3: [[AWS:Submit docking job]]<br /> * Tutorial 4: [[AWS:Merge and download results]]<br /> * Tutorial 5: AWS:Cleanup THIS TUTORIAL<br /> <br /> 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. <br /> <br /> = option 1 = <br /> Leave everything as is. Advantage. you lose nothing. Disadvantage: you pay for storage <br /> <br /> = option 2 = <br /> Delete the raw output in S3, retaining only the merged and sorted results and the overall set up with dockfiles and so on. <br /> 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. <br /> <br /> = option 3 = <br /> 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. <br /> <br /> = option A = <br /> 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. <br /> <br /> <br /> [[Category:AWS]]<br /> [[Category:DOCK 3.8]]<br /> [[Category:Tutorial]]</div>

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