Search structures in ChEBI database

Created: 2010-07-13 15:08:20 Last updated: 2010-07-13 15:10:10

Download Workflow

Does a substructure, similarity or identity search using a structure in the Chebi database

Preview

Run

Run this Workflow in the Taverna Workbench...

Option 1:

Copy and paste this link into File > 'Open workflow location...'
http://www.myexperiment.org/workflows/1426/download?version=1
[ More Info Expand ]

Workflow Components

Authors (0)

Titles (0)

Descriptions (0)

Dependencies (0)

Inputs (5)

Name	Description
structure	A compound represented by its smiles notation
searchCategory	Type of search to perform. Has to be a value from Type of search to perform. Has to be a value from SIMILARITY, SUBSTRUCTURE, IDENTITY Type of search to perform. Has to be a value from SIMILARITY, SUBSTRUCTURE, Type of search to perform. Has to be a value from SIMILARITY,
tanimotoCutoff	The tanimoto cutoff value
totalResults	Max number of results
structureFormat	Type of structure used as input. Has to be a value from MOLEFILE, CML or SMILES. Type of structure used as input. Has to be a value from MOLFILE, CML or SMILES. Type of structure used as input. Has to be a value from

Processors (3)

Name	Type	Description
getStructureSearch	wsdl	Wsdl http://www.ebi.ac.uk/webservices/chebi/2.0/webservice?wsdl Wsdl Operation getStructureSearch
getStructureSearch_input	xmlsplitter
getStructureSearch_result	xmlsplitter

Beanshells (0)

Outputs (1)

Name	Description
results

Datalinks (8)

Source	Sink
getStructureSearch_input:output	getStructureSearch:parameters
structure	getStructureSearch_input:structure
searchCategory	getStructureSearch_input:structureSearchCategory
tanimotoCutoff	getStructureSearch_input:tanimotoCutoff
totalResults	getStructureSearch_input:totalResults
structureFormat	getStructureSearch_input:type
getStructureSearch:result	getStructureSearch_result:input
getStructureSearch_result:return	results

Coordinations (0)

Information Workflow Type

Taverna 2

Information Uploader

Peter Li

Information License

All versions of this Workflow are licensed under:

Information Version 1 (of 1)

Information Credits (1)

(People/Groups)

Peter Li

Information Attributions (0)

(Workflows/Files)

None

Information Tags (3)

Uploader tags

Log in to add Tags

Information Shared with Groups (0)

None

Information Featured In Packs (1)

Example PubChem, ChEBI and ChemSpider workflows

Log in to add to one of your Packs

Information Attributed By (0)

(Workflows/Files)

None

Information Favourited By (0)

No one

Information Statistics

3254 viewings

1573 downloads

[ see breakdown ]

Citations (0)

None

Version History

In chronological order:

Search structures in ChEBI database

Created by Peter Li on Tuesday 13 July 2010 15:08:20 (UTC)

Last edited by Peter Li on Tuesday 13 July 2010 15:10:10 (UTC)

Reviews (0)

No reviews yet

Be the first to review!

Comments (0)

View Timeline

No comments yet

Log in to make a comment

Other workflows that use similar services (6)

Only the first 2 workflows that use similar services are shown. View all workflows that use these services.

Taverna 2

Uploader

Peter Li

getLiteEntity (1)

Download

Retrieves a list of "lite" entities containing only the ChEBI ASCII name and ChEBI identifier. The input parameters are a search string and a search category. If the search category is null then it will search under all fields. The search string accepts the wildcard character "*" and also unicode characters. You can get maximum results upto 5000 entries at a time.