ZINC scripts: Difference between revisions
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print `wget -q -O - "http://zinc.docking.org/substance/reps/ref/$a.mol2"`; | print `wget -q -O - "http://zinc.docking.org/substance/reps/ref/$a.mol2"`; | ||
} | } | ||
[[Category:ZINC]] | [[Category:ZINC]] | ||
[[Category:API]] |
Latest revision as of 13:38, 1 May 2014
ZINC scripts.
download a list of molecules in mol2 format by zincid
#!/usr/bin/perl -w # jji. July 2012 - read list of ZINC ids from stdin, output mol2 files, reference pH, as mol2 # while (<STDIN>) { my $a = $_; chop $a; print `wget -q -O - "http://zinc.docking.org/substance/reps/ref/$a.mol2"`; }