ZINC:Command language - Revision history

Khtang: /* = Complete list of supported purchasability types */

2018-12-28T21:34:06Z

= Complete list of supported purchasability types

← Older revision		Revision as of 21:34, 28 December 2018
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	== Complete list of supported purchasability types =		== Complete list of supported purchasability types ==
	* purchasable		* purchasable
	* stock-demand = in stock OR make on demand		* stock-demand = in stock OR make on demand

Khtang at 21:33, 28 December 2018

2018-12-28T21:33:20Z

← Older revision		Revision as of 21:33, 28 December 2018
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	Multiple queries and format instructions may be supplied in a single transaction.		Multiple queries and format instructions may be supplied in a single transaction.

	~~{{TOCright}}~~
	= Quick Search Bar =		= Quick Search Bar =
	You can access all the functionality of the [[Quick Search Bar]] (QSB) using the /find/ command to form a valid RESTful query.		You can access all the functionality of the [[Quick Search Bar]] (QSB) using the /find/ command to form a valid RESTful query.

Frodo at 13:54, 1 May 2014

2014-05-01T13:54:37Z

← Older revision		Revision as of 13:54, 1 May 2014
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	You can control ZINC-12 remotely by hand writing URLs. This document is a guide to how to use them. A subset of these qualify as RESTful.		You can control ZINC-12 remotely by hand writing URLs. This document is a guide to how to use them. A subset of these qualify as RESTful. There are more pages about controlling ZINC via various kinds of APIs we've experimented with at [[ZINC api]].

	URLs are generally of the form: http://zinc.docking.org/results?category.field=argument&category2.field2=argument2		URLs are generally of the form: http://zinc.docking.org/results?category.field=argument&category2.field2=argument2

Frodo: /* Reports, Formats, Filters */

2014-05-01T13:53:39Z

Reports, Formats, Filters

@@ Line 61: / Line 61: @@
   e.g. http://zinc.docking.org/results?annotation.name=DRD2_HUMAN&filter.purchasability=purchasable
 [[Category:ZINC]]
 [[Category:API]]

Frodo: /* Quick Search Bar */

2014-05-01T13:47:43Z

Quick Search Bar

← Older revision		Revision as of 13:47, 1 May 2014
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	{{TOCright}}		{{TOCright}}
	= Quick Search Bar =		= Quick Search Bar =
	You can access all the functionality of the [[Quick Search Bar]] using the /find/ command.		You can access all the functionality of the [[Quick Search Bar]] (QSB) using the /find/ command to form a valid RESTful query.

	e.g. http://zinc.docking.org/find/12346+3432+3343 ; search for 3 ZINC IDs		e.g. http://zinc.docking.org/find/12346+3432+3343 ; search for 3 ZINC IDs
	e.g. http://zinc.docking.org/find/drug:ibuprofen ; interpreted as in the interactive Quick Search Bar		e.g. http://zinc.docking.org/find/drug:ibuprofen ; interpreted as in the interactive Quick Search Bar

			The commands supported in the QSB (before the :, no spaces) in the quick search bar are zinc, cas, smiles, drug, target, catalog and vendor. See the [[QSB]] article for examples.

	= Structure =		= Structure =

Frodo at 13:33, 1 May 2014

2014-05-01T13:33:35Z

← Older revision		Revision as of 13:33, 1 May 2014
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	e.g. http://zinc.docking.org/results?annotation.name=DRD2_HUMAN&filter.purchasability=purchasable		e.g. http://zinc.docking.org/results?annotation.name=DRD2_HUMAN&filter.purchasability=purchasable
	[[Category:ZINC]]		[[Category:ZINC]]
			[[Category:API]]

Frodo at 13:33, 1 May 2014

2014-05-01T13:33:17Z

← Older revision		Revision as of 13:33, 1 May 2014
Line 1:		Line 1:
	You can control ZINC-12 remotely by hand writing URLs. This document is a guide to how to use them.		You can control ZINC-12 remotely by hand writing URLs. This document is a guide to how to use them. A subset of these qualify as RESTful.

	URLs are generally of the form: http://zinc.docking.org/results?category.field=argument&category2.field2=argument2		URLs are generally of the form: http://zinc.docking.org/results?category.field=argument&category2.field2=argument2

Therese: 9 revisions

2012-10-08T20:33:17Z

9 revisions

New page

You can control ZINC-12 remotely by hand writing URLs. This document is a guide to how to use them.

URLs are generally of the form: http://zinc.docking.org/results?category.field=argument&category2.field2=argument2

Multiple queries and format instructions may be supplied in a single transaction.

{{TOCright}}
= Quick Search Bar =
You can access all the functionality of the [[Quick Search Bar]] using the /find/ command.

e.g. http://zinc.docking.org/find/12346+3432+3343 ; search for 3 ZINC IDs
e.g. http://zinc.docking.org/find/drug:ibuprofen ; interpreted as in the interactive Quick Search Bar

= Structure =
The SMILES and SMARTS must be URL encoded.

structure.similarity=n where 0<=n<=1
structure.smiles=<SMILES>
structure.substructure=<SMARTS>

e.g. http://zinc.docking.org/results.?structure.smiles=C1CCCCC1&structure.similarity=1.0 ; search for exactly cyclohexane

= Catalog =
catalog.purchasability={not-for-sale, in-stock, on-demand, boutique, agent, collabocules>
catalog.name=<name>

e.g. http://zinc.docking.org/results?catalog.purchasablity=in-stock
e.g. http://zinc.docking.org/results?catalog.name=:ChemBridge,Molport

= ZINC ID =

zinc.id =

e.g.http://zinc.docking.org/results?zinc.id=29323

= Annotation =
annotation.swiss_prot=Q9R297
annotation.uniprot=HRH1_HUMAN
annotation.term=:Q9R297,HRH1_HUMAN

e.g.http://zinc.docking.org/results?annotation.uniprot=HRH1_HUMAN

= Prediction =
prediction.swiss_prot=Q9R297
prediction.uniprot=HRH1_HUMAN

e.g.http://zinc.docking.org/results?prediction.swissprot=Q112345

= Clustered Targets =
target.code=drd2-1-e

e.g.http://zinc.docking.org/results?target.code=drd2-1-e

= Reports, Formats, Filters =

page.format=X where X = sdf, mol2, smi, Flexibase
filter.representation=X where X= usual, single, metal, all, ref, mid, hi, lo
filter.purchasability=X where X= in-stock, on-demand, purchasable, not-for-sale, all, ...

e.g. http://zinc.docking.org/results?annotation.name=DRD2_HUMAN&filter.purchasability=purchasable
[[Category:ZINC]]

Frodo at 00:29, 23 February 2012

2012-02-23T00:29:53Z

← Older revision		Revision as of 00:29, 23 February 2012
Line 5:		Line 5:
	Multiple queries and format instructions may be supplied in a single transaction.		Multiple queries and format instructions may be supplied in a single transaction.

			{{TOCright}}
	= Quick Search Bar =		= Quick Search Bar =
	You can access all the functionality of the [[Quick Search Bar]] using the /find/ command.		You can access all the functionality of the [[Quick Search Bar]] using the /find/ command.

Frodo at 00:29, 23 February 2012

2012-02-23T00:29:22Z

← Older revision		Revision as of 00:29, 23 February 2012
Line 1:		Line 1:
	You can control ZINC-12 remotely by hand writing URLs. This document is a guide to how to use them.		You can control ZINC-12 remotely by hand writing URLs. This document is a guide to how to use them.

			URLs are generally of the form: http://zinc.docking.org/results?category.field=argument&category2.field2=argument2

	~~== Structure ==~~		Multiple queries and format instructions may be supplied in a single transaction.
	~~structure[similarity]=n where 0<=n<=1~~
	~~structure[smiles]=smiles~~
	~~structure[smiles]=name~~

	~~Example:~~
	~~http://zinc12.docking.org/search/results.php?structure[smiles]=cetirizine&structure[similarity]=1.0~~

	=~~= Vendor =~~=		= Quick Search Bar =
	~~catalog~~[~~purchasability~~][]~~=n where 0=not for sale, 1=0-2 week delivery, 2=6-10 week delivery, 4=expensive~~		You can access all the functionality of the [[Quick Search Bar]] using the /find/ command.

	== ZINC ~~ID ==~~		e.g. http://zinc.docking.org/find/12346+3432+3343 ; search for 3 ZINC IDs
			e.g. http://zinc.docking.org/find/drug:ibuprofen ; interpreted as in the interactive Quick Search Bar

	== Annotation ==
			= Structure =
			The SMILES and SMARTS must be URL encoded.

			structure.similarity=n where 0<=n<=1
			structure.smiles.=<SMILES>
			structure.substructure=<SMARTS>

			e.g. http://zinc.docking.org/results.?structure.smiles=C1CCCCC1&structure.similarity=1.0 ; search for exactly cyclohexane

			= Catalog =
			catalog.purchasability={not-for-sale, in-stock, on-demand, boutique, agent, collabocules>
			catalog.name=<name>

			e.g. http://zinc.docking.org/results?catalog.purchasablity=in-stock
			e.g. http://zinc.docking.org/results?catalog.name=ChemBridge
			e.g. catalog class
			cat_id:= xx,x,x,x,x


			= ZINC ID =

			zinc.id =

			e.g.http://zinc.docking.org/results?zinc.id=29323

			= Annotation =
	annotation[swiss_prot]=Q9R297		annotation[swiss_prot]=Q9R297
	annotation[uniprot]=HRH1_HUMAN		annotation[uniprot]=HRH1_HUMAN

	== Prediction ==		e.g.http://zinc.docking.org/results?zinc.id=29323

			= Prediction =
	prediction[swiss_prot]=Q9R297		prediction[swiss_prot]=Q9R297
	prediction[uniprot]=HRH1_HUMAN		prediction[uniprot]=HRH1_HUMAN

			e.g.http://zinc.docking.org/results?prediction.swissprot=Q112345

			= Blaster =
			blaster.prediction =

			e.g.http://zinc.docking.org/results?blaster.prediction=123423

	= Reports, Formats, Filters =		= Reports, Formats, Filters =
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	page[format]=X where X = sdf, mol2, smi, Flexibase		page[format]=X where X = sdf, mol2, smi, Flexibase
	page[filter]=X where X= usual, single, metal, all, ref, mid, hi, lo		page[filter]=X where X= usual, single, metal, all, ref, mid, hi, lo
			purchasability


			e.g. http://zinc.docking.org/results?zinc.id=29323
	[[Category:ZINC]]		[[Category:ZINC]]