News of 2024-09 Sept: Difference between revisions
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# new size. as loaded: | # new size. as loaded: | ||
<pre> | <pre> | ||
zinc-22n H22P080 8.33M (4.0M). | zinc-22n H22P080 8.33M (4.0M). rebuilding | ||
zinc-22n H23P130 18.4M (9.8M). | zinc-22n H23P130 18.4M (9.8M). rebuilding. | ||
zinc-22n H24P030 18.4M (11.0M) | zinc-22n H24P030 18.4M (11.0M) rebuilding | ||
zinc-22n H24P040 19.8M (11.9M) | zinc-22n H24P040 19.8M (11.9M) submitted. | ||
zinc-22n H25P080 44.35M (27.2M) | zinc-22n H25P080 44.35M (27.2M) submitted. | ||
</pre> | </pre> | ||
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! | 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! | ||
Revision as of 22:03, 4 September 2024
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:
- new size. as loaded:
zinc-22n H22P080 8.33M (4.0M). rebuilding zinc-22n H23P130 18.4M (9.8M). rebuilding. zinc-22n H24P030 18.4M (11.0M) rebuilding zinc-22n H24P040 19.8M (11.9M) submitted. zinc-22n H25P080 44.35M (27.2M) submitted.
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.
27 corrupted files
The following files were corrupted before Sept 4, 2024. They have all now been fixed (repaired) or deleted. (del, deleted) They should be correct on gimel wynton and AWS as of Sept 4, 2024. When a percentage is given, it is an estimate of the number of undamaged molecules that were successfully recovered.
/proj/zinc22/zinc22/zinc-22g/H19/H19P140/a/H19P140-N-xam.db2.tgz del /proj/zinc22/zinc22/zinc-22h/H19/H19P130/a/H19P130-N-xgl.db2.tgz del /proj/zinc22/zinc22/zinc-22i/H19/H19P140/a/H19P140-N-xal.db2.tgz del /proj/zinc22/zinc22/zinc-22n/H25/H25P010/p/H25P010-N-naabbp.db2.tgz repaired 90% DONE /proj/zinc22/zinc22/zinc-22n/H25/H25P160/b/H25P160-K-naaaab.db2.tgz repaired 99% DONE /proj/zinc22/zinc22/zinc-22n/H24/H24P090/a/H24P090-M-nal.db2.tgz del /proj/zinc22/zinc22/zinc-22n/H22/H22P120/r/H22P120-O-naaadr.db2.tgz repaired 84% DONE /proj/zinc22/zinc22/zinc-22n/H22/H22P120/g/H22P120-O-naaaeg.db2.tgz repairing 60% DONE /proj/zinc22/zinc22/zinc-22n/H22/H22P120/x/H22P120-O-naaafx.db2.tgz repairing 10% DONE /proj/zinc22/zinc22/zinc-22n/H22/H22P120/p/H22P120-O-naaafp.db2.tgz repairing 10% DONE /proj/zinc22/zinc22/zinc-22n/H22/H22P120/w/H22P120-O-naaafw.db2.tgz broken? deleted /proj/zinc22/zinc22/zinc-22n/H22/H22P120/n/H22P120-O-naaaen.db2.tgz broken? deleted /proj/zinc22/zinc22/zinc-22n/H22/H22P120/n/H22P120-O-naaafn.db2.tgz repaired 10% DONE /proj/zinc22/zinc22/zinc-22n/H22/H22P120/m/H22P120-O-naaafm.db2.tgz repaired 30% DONE /proj/zinc22/zinc22/zinc-22n/H22/H22P120/t/H22P120-O-naaaft.db2.tgz repaired 15% DONE /proj/zinc22/zinc22/zinc-22n/H22/H22P120/s/H22P120-O-naaafs.db2.tgz repaired 10% DONE /proj/zinc22/zinc22/zinc-22n/H23/H23P390/y/H23P390-N-naaady.db2.tgz repaired 100% DONE /proj/zinc22/zinc22/zinc-22n/H23/H23P230/m/H23P230-N-naacgm.db2.tgz repaired 100% DONE /proj/zinc22/zinc22/zinc-22n/H23/H23M000/i/H23M000-N-naaeqi.db2.tgz repaired 100% DONE /proj/zinc22/zinc22/zinc-22n/H24/H24P320/s/H24P320-N-naaafs.db2.tgz repaired 100% DONE /proj/zinc22/zinc22/zinc-22n/H25/H25P220/a/H25P220-K-nab.db2.tgz del /proj/zinc22/zinc22/zinc-22q/H24/H24M000/l/H24M000-N-qaafyl.db2.tgz repaired 100% DONE /proj/zinc22/zinc22/zinc-22t/H25/H25P220/l/H25P220-M-taaaal.db2.tgz repaired 7% DONE /proj/zinc22/zinc22/zinc-22t/H25/H25P220/k/H25P220-M-taaaak.db2.tgz repaired 100% DONE /proj/zinc22/zinc22/zinc-22t/H24/H24P270/j/H24P270-N-taaanj.db2.tgz repaired ??? /proj/zinc22/zinc22/zinc-22x/H22/H22P080/i/H22P080-K-M.sdi.db2.tgz del /proj/zinc22/zinc22/zinc-22x/H22/H22P120/i/H22P120-K-L.sdi.db2.tgz del /proj/zinc22/zinc22/zinc-22x/H22/H22P100/i/H22P100-K-L.sdi.db2.tgz del