ZINC scripts: Difference between revisions
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ZINC scripts. | ZINC scripts. | ||
= download a list of molecules in mol2 format by zincid = | == download a list of molecules in mol2 format by zincid == | ||
#!/usr/bin/perl -w | #!/usr/bin/perl -w | ||
# jji. July 2012 - read list of ZINC ids from stdin, output mol2 files, reference pH, as mol2 | # jji. July 2012 - read list of ZINC ids from stdin, output mol2 files, reference pH, as mol2 | ||
# | # | ||
while (<STDIN>) { | while (<STDIN>) { | ||
my $a = $_; chop $a; | my $a = $_; chop $a; | ||
print `wget -q -O - "http://zinc.docking.org/substance/reps/ref/$a.mol2"`; | print `wget -q -O - "http://zinc.docking.org/substance/reps/ref/$a.mol2"`; | ||
} | } | ||
= script 2: to be written = | |||
== script 2: to be written == | |||
[[Category:ZINC]] | [[Category:ZINC]] | ||
Revision as of 02:15, 11 July 2012
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"`;
}