News of 2024-09 Sept: Difference between revisions

From DISI
Jump to navigation Jump to search
m (asdf)
m (asdf)
Line 8: Line 8:


Here are the affected tranches:
Here are the affected tranches:
 
#  new size. as loaded:
zinc-22n H22P080
zinc-22n H22P080 8.33M (4.0M). submitted.
zinc-22n H23P130
zinc-22n H23P130 18.4M (9.8M).  submitted.
zinc-22n H24P030
zinc-22n H24P030 18.4M (11.0M) submitted.
zinc-22n H24P040
zinc-22n H24P040   19.8M    (11.9M)
zinc-22n H25P080
zinc-22n H25P080   44.35M    (27.2M)


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!
Line 22: Line 22:
* Oct 1, 2024 - start installing new files
* Oct 1, 2024 - start installing new files
* Nov 1, 2024 - update complete. make announcement on twitter.
* Nov 1, 2024 - update complete. make announcement on twitter.
== 27 corrupted files ==
We are aware that these files are corrupted. We will try to fix these.
/proj/zinc22/zinc22/zinc-22g/H19/H19P140/a/H19P140-N-xam.db2.tgz
/proj/zinc22/zinc22/zinc-22h/H19/H19P130/a/H19P130-N-xgl.db2.tgz
/proj/zinc22/zinc22/zinc-22i/H19/H19P140/a/H19P140-N-xal.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H25/H25P010/p/H25P010-N-naabbp.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H25/H25P160/b/H25P160-K-naaaab.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H24/H24P090/a/H24P090-M-nal.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/r/H22P120-O-naaadr.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/g/H22P120-O-naaaeg.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/x/H22P120-O-naaafx.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/p/H22P120-O-naaafp.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/w/H22P120-O-naaafw.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/n/H22P120-O-naaaen.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/n/H22P120-O-naaafn.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/m/H22P120-O-naaafm.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/t/H22P120-O-naaaft.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H22/H22P120/s/H22P120-O-naaafs.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H23/H23P390/y/H23P390-N-naaady.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H23/H23P230/m/H23P230-N-naacgm.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H23/H23M000/i/H23M000-N-naaeqi.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H24/H24P320/s/H24P320-N-naaafs.db2.tgz
/proj/zinc22/zinc22/zinc-22n/H25/H25P220/a/H25P220-K-nab.db2.tgz
/proj/zinc22/zinc22/zinc-22q/H24/H24M000/l/H24M000-N-qaafyl.db2.tgz
/proj/zinc22/zinc22/zinc-22t/H25/H25P220/l/H25P220-M-taaaal.db2.tgz
/proj/zinc22/zinc22/zinc-22t/H25/H25P220/k/H25P220-M-taaaak.db2.tgz
/proj/zinc22/zinc22/zinc-22t/H24/H24P270/j/H24P270-N-taaanj.db2.tgz
/proj/zinc22/zinc22/zinc-22x/H22/H22P080/i/H22P080-K-M.sdi.db2.tgz
/proj/zinc22/zinc22/zinc-22x/H22/H22P120/i/H22P120-K-L.sdi.db2.tgz
/proj/zinc22/zinc22/zinc-22x/H22/H22P100/i/H22P100-K-L.sdi.db2.tgz




[[Category:News]]
[[Category:News]]

Revision as of 01:06, 29 August 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:

  1. new size. as loaded:

zinc-22n H22P080 8.33M (4.0M). submitted. zinc-22n H23P130 18.4M (9.8M). submitted. zinc-22n H24P030 18.4M (11.0M) submitted. zinc-22n H24P040 19.8M (11.9M) zinc-22n H25P080 44.35M (27.2M)

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

We are aware that these files are corrupted. We will try to fix these.

/proj/zinc22/zinc22/zinc-22g/H19/H19P140/a/H19P140-N-xam.db2.tgz /proj/zinc22/zinc22/zinc-22h/H19/H19P130/a/H19P130-N-xgl.db2.tgz /proj/zinc22/zinc22/zinc-22i/H19/H19P140/a/H19P140-N-xal.db2.tgz /proj/zinc22/zinc22/zinc-22n/H25/H25P010/p/H25P010-N-naabbp.db2.tgz /proj/zinc22/zinc22/zinc-22n/H25/H25P160/b/H25P160-K-naaaab.db2.tgz /proj/zinc22/zinc22/zinc-22n/H24/H24P090/a/H24P090-M-nal.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/r/H22P120-O-naaadr.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/g/H22P120-O-naaaeg.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/x/H22P120-O-naaafx.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/p/H22P120-O-naaafp.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/w/H22P120-O-naaafw.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/n/H22P120-O-naaaen.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/n/H22P120-O-naaafn.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/m/H22P120-O-naaafm.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/t/H22P120-O-naaaft.db2.tgz /proj/zinc22/zinc22/zinc-22n/H22/H22P120/s/H22P120-O-naaafs.db2.tgz /proj/zinc22/zinc22/zinc-22n/H23/H23P390/y/H23P390-N-naaady.db2.tgz /proj/zinc22/zinc22/zinc-22n/H23/H23P230/m/H23P230-N-naacgm.db2.tgz /proj/zinc22/zinc22/zinc-22n/H23/H23M000/i/H23M000-N-naaeqi.db2.tgz /proj/zinc22/zinc22/zinc-22n/H24/H24P320/s/H24P320-N-naaafs.db2.tgz /proj/zinc22/zinc22/zinc-22n/H25/H25P220/a/H25P220-K-nab.db2.tgz /proj/zinc22/zinc22/zinc-22q/H24/H24M000/l/H24M000-N-qaafyl.db2.tgz /proj/zinc22/zinc22/zinc-22t/H25/H25P220/l/H25P220-M-taaaal.db2.tgz /proj/zinc22/zinc22/zinc-22t/H25/H25P220/k/H25P220-M-taaaak.db2.tgz /proj/zinc22/zinc22/zinc-22t/H24/H24P270/j/H24P270-N-taaanj.db2.tgz /proj/zinc22/zinc22/zinc-22x/H22/H22P080/i/H22P080-K-M.sdi.db2.tgz /proj/zinc22/zinc22/zinc-22x/H22/H22P120/i/H22P120-K-L.sdi.db2.tgz /proj/zinc22/zinc22/zinc-22x/H22/H22P100/i/H22P100-K-L.sdi.db2.tgz