Rsyncing zinc15

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Revision as of 15:22, 3 September 2019 by Dudenko (talk | contribs)
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A few examples below: This is how you set up a ZINC Mirror. I am looking at you Uppsala, Beijing, and Kiev.

  1. what is available?
rsync --list-only rsync://files.docking.org
  1. download 2D
rsync -L  -a --progress  --include="[ABCDEFG][A-G]*.smi" --exclude="[HIJK]*" rsync://files.docking.org/ZINC-2D/ zinc
  1. download 3D
rsync -L  -a --progress  --include="[ABCDEFG][A-G]*.db2.gz" --exclude="[HIJK]*" rsync://files.docking.org/ZINC-3D/  zinc
  1. Example:

Let's say, you are in folder /ZINC15DB, which contains your 3D database (named as 3D), and you want to sync only *.db2.gz files from CA-tranche, then:

rsync -L  -a --progress --include="*/" --include="CA*.db2.gz" --exclude="*" rsync://files.docking.org/ZINC-3D/CA 3D