[Zinc-fans] User-created subset download
sergio.mares-samano at postgrad.manchester.ac.uk
Thu Mar 12 13:42:57 PDT 2009
Thank you very much for such an amazing database like zinc; it's
fantastic! Also, I'm grateful for responding my question regarding the
use of the smiles in the JME applet in the ZINC search page. I have one
more question though, it is about how to download a user-created subset.
This is the issue:
1. After conducting a search, I created a subset using the "Create
subset" button on the results browser of the ZINC search facility.
The subset did not contain more than 2000 compounds.
2. Even though it is a relatively small subset, I waited more than 24
h for all the files to be generated.
3. wget http://zinc.docking.org/subset2/86378/usual.sdf.csh
4. csh usual.sdf.csh # At this point, this message comes up in the
konsole: "No URLs found in -."
5. I confirmed this by opening the 'usual.sdf.csh' file using a text
editor; it only contains: "wget
--base=http://blaster.docking.org/zinc8/subset1/86378/ -i - <<++"
6. The whole procedure was carried out before the stated date in
which the subset would be removed ("delete after" date).
I've tried other subsets created by other users getting the same
problem. However, when trying the "by property subsets" it works fine; I
am able to download the files.
Obviously, I am missing something, I still haven't found out what is the
I would highly appreciate it if you can give me some advice!
The University of Manchester
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