ZINC scripts - Revision history

Frodo at 13:38, 1 May 2014

2014-05-01T13:38:41Z

← Older revision		Revision as of 13:38, 1 May 2014
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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"`;
	}		}

	~~== script 2: to be written ==~~


	[[Category:ZINC]]		[[Category:ZINC]]
			[[Category:API]]

Therese: 3 revisions

2012-10-08T20:33:21Z

3 revisions

← Older revision

Revision as of 20:33, 8 October 2012

Frodo at 02:16, 11 July 2012

2012-07-11T02:16:16Z

← Older revision		Revision as of 02:16, 11 July 2012
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	#		#
	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"`;
	}		}

Frodo at 02:15, 11 July 2012

2012-07-11T02:15:42Z

← Older revision		Revision as of 02:15, 11 July 2012
Line 1:		Line 1:
	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]]

Frodo at 02:15, 11 July 2012

2012-07-11T02:15:05Z

New page

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"`;
}
= script 2: to be written =

[[Category:ZINC]]