/etc/getData.conf.d/autodock-zinc.getData is in autodock-getdata 4.2.6-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 | print STDERR "Reading autodock-zinc configuration file\n" if $verbose;
# This file is Copyright (C) Steffen Moeller <moeller@debian.org>
# and made availabel under the terms of the GPL version 2 or any
# later version as presented in '/usr/share/common-licenses/GPL-2'.
# No chemical post-processing required since all files are in pdbqt format
# already. But one needs to untar the files.
foreach $n (("asinex", "chembridge_buildingblocks_pdbqt_1000split", "drugbank_nutraceutics",
"drugbank_smallmol", "fda_approved", "human_metabolome_pdbqt_1000split", "otava",
"zinc_natural_products")) {
print "$n\n";
$toBeMirrored{"zinc.pdbqt.$n"}={
"name" => "ZINC - PDBQT formatted – $n",
"tags" => ["pdbqt","compounds"],
"source" => "wget $sharedWgetOptions http://zinc.docking.org/pdbqt/$n.tar.gz",
"post-download" => "tar --no-same-owner --exclude prepare_lig.log --exclude mol2 -xzvf $n.tar.gz && chmod -R go+r . && find . -type d -exec chmod +x {} \\; "
};
}
1;
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