News of Sep-24

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.