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11 July 2023

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31 May 2023

  • 22:2122:21, 31 May 2023 diff hist +91 Installing The 3D Pipeline ZINC22No edit summary current
  • 22:2122:21, 31 May 2023 diff hist +2,380 N Installing The 3D Pipeline ZINC22Created page with "Installation of the 3D pipeline is somewhat tricky- the environment is very particular about which versions of which software should be used. It is thus easiest to copy the exact software packages we use from our servers- this should work provided they are installed in a 64-bit linux architecture, though depending on the distribution certain shared libraries may be missing. == Setting up the installation root == First find a suitable directory which will serve as the r..."

18 May 2023

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  • 23:4223:42, 17 June 2022 diff hist +1,868 N AWS:Merge and download resultsCreated page with "=== Prerequisites === github personal access token & DOCK repository access rights (https://docs.github.com/en/authentication/keeping-your-account-and-data-secure/creating-a-..."

13 June 2022

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2 December 2021

25 August 2021

24 August 2021

  • 01:2701:27, 24 August 2021 diff hist +1,513 N 3D Pipeline ExplanationCreated page with "From email to Seth: The way the output file from the tautprot_cxcalc.sh step looks like current is this: [smiles] [zinc id] [protomer id] The script generates multiple file..." current

10 August 2021

  • 19:4719:47, 10 August 2021 diff hist +296 N 3D In CoriCreated page with "Cori has some unconventional requirements for submitting jobs, I'll relay those here: <nowiki> --constraint=haswell --qos=regular (time limit 24 hours) --qos=debug (time l..." current

27 July 2021

2 June 2021

28 May 2021

  • 19:0219:02, 28 May 2021 diff hist +2,240 N Python DOCK3.8Created page with "Python is used extensively in DOCK 3.8 scripts, and multiple versions of python are required to run the full suite of software. == top_poses.py : Python 3.8 == $DOCKBASE/ana..." current

15 May 2021

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  • 21:4221:42, 20 April 2021 diff hist +1,893 N Ben DOCKAWS NotesCreated page with " <nowiki> cat > ecs-secret-permissions-policy.txt <<EOF { "Version":"2012-10-17", "Statement": [ { "Effect":"Allow", ..." current

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