Difference between revisions of "Official file locations"

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Revision as of 15:53, 22 July 2020

This document describes where files live, officially, on the cluster.

We have too many old copies of files. The intent is that we use this document to control the official location of files.

Organized by Topic

Where do we keep SMILES of big databases

/nfs/exb/rawsmiles/

Where do I look for dockable ZINC22

/nfs/exa/zinc22/3D


Where do I look for 2D SMILES of ZINC22

/nfs/exa/zinc22/2D

Organized by Location

/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