Official file locations
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This document describes where files live, officially, on the cluster.
Lost and found
Are these needed?
/mnt/nfs/exc/zinc22/dude-xtract
- Backups =
/nfs/exc/zinc22/psql-backups - TIN database backups /nfs/exc/backups/ - infrastructure backups /nfs/exc/bet - bet backups
By disk
50-mer tarballs
/nfs/exb/zinc22/tarballs - raw 50-mer tarballs Aug 26, 2020 to May 2021. location 1 /nfs/exc/zinc23/tarballs - raw 50-mer tarballs Mar 30, 2021 to June 2021. location 2. /nfs/exe/zinc23/tarballs - raw 50-mer tarballs July 2021 to Dec 2021. location 3. /nfs/exd/zinc22/tarballs - copy (mirror) of location 1 /nfs/exe/zinc22/tarballs - copy (mirror) of location 2 /nfs/exf/zinc22/tarballs - copy (mirror) of location 3
5000-mer tarballs
/nfs/exd/zinc-22?/ - 5000-mer tarballs, location 1. t-x /nfs/exc/zinc-22?/ - 5000-mer tarballs, location 2. h-s /nfs/exe/zinc-22?/ - 5000-mer tarballs, location 3. a-g /wynton/group/bks/zinc-22?/ - copy (mirror) or locations 1,2,3 Also mirrored on AWS.
/nfs/exe/2d/ - raw smiles from vendors. (used to be in /nfs/db5/2d/)
By Topic
2D SMILES
/nfs/exb/rawsmiles/
3D
/nfs/exa/zinc22/3D
By Location
disk | what | notes |
---|---|---|
db2 | SSD 76TB /124TB | fine tranches, smallworld |
db3 | SSD 118TB / 124 TB | work |
db5 | SSD 124TB / 124TB | smiles, zinc22 |
ex9 | asdfasdf | lots |
exa | qwer34 | lots |
exb | 275 TB / 275 TB | zinc22 tarballs |
exc | 275 TB / 275 TB | zinc22 dockable |
exd | 275 TB / 275TB | consolidate ex1-ex8 |
/nfs/exb/zinc22
This is where 3D databases of ZINC22 live. Within
- The raw tarballs go in /nfs/exb/zinc22/tarballs/
- 2D SMILES go
/nfs/exc/dock/zinc22
This is where the dockable version of zinc22 lives. It is organized by fine tranche HxxPyyy