News of 2024-09 Sept

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Revision as of 18:06, 28 August 2024 by Frodo (talk | contribs) (asdf)
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Some db2.gz files were incorrectly mol2.tgz files

To correct this problem, we must

  • delete the existing tranches
  • rebuild the molecules
  • put the new files in place, including in AWS
  • tell users to download the new versions

Here are the affected tranches:

zinc-22n H22P080 zinc-22n H23P130 zinc-22n H24P030 zinc-22n H24P040 zinc-22n H25P080

A total of 11100 db2.tgz (that contain mol2 but should contain db2) were found. Thanks to the lab of Jens Carlsson and especially Israel Cabeza de Vaca for help with this!

  • Aug 28, 2024 - these tranches were deleted on BKSlab, AWS and Wynton

(estimated below)

  • Sep 1, 2024 - rebuilding started
  • Oct 1, 2024 - start installing new files
  • Nov 1, 2024 - update complete. make announcement on twitter.
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