Workflow Entry: Download from ChemSpider using Accurate Mass

Created at: 26/11/07 @ 17:16:29 Last updated: 05/02/08 @ 12:56:12

Version 2 (latest) (of 2)

Version created on: 26/11/07 @ 17:16:29 by: Egon Willighagen | Revision comments Expand

Last edited on: 05/02/08 @ 12:56:12 by: Egon Willighagen

Title: Download from ChemSpider using Accurate Mass

Type: Taverna 1

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Download_from_chemspider_using_accurate_mass_17623_2

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Description

Not set

Download

Download Workflow File/Package (SCUFL)

Run

Run this Workflow in the Taverna Workbench...

Option 1:

Launch in Taverna

Note: you need to have both the WHIP Launcher and the Taverna myExperiment/WHIP plugin installed on your machine for this to work. See here for information.

Option 2:

Copy and paste this link into File > 'Open workflow location...'
http://www.myexperiment.org/workflows/97/download?version=2
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Workflow Components

Inputs (2)

Name	Description
Mass_Range
Accurate_Mass

Processors (6)

Name	Type	Description
parametersXML3	local
parametersXML1	local
parametersXML2	local
parametersXML	local
GetCompoundDetails	arbitrarywsdl	Return specified compound details.
SearchByMass	arbitrarywsdl	Search ChemSpider compounds by mass +/- range. Search within specified datasources (if given).

Outputs (1)

Name	Description
CompoundDetails

Links (8)

Sink	Source
parametersXML:mass	Accurate_Mass
parametersXML3:input	GetCompoundDetails:parameters
parametersXML:range	Mass_Range
parametersXML1:input	SearchByMass:parameters
parametersXML2:cmp_id	parametersXML1:SearchByMassResult
GetCompoundDetails:parameters	parametersXML2:output
CompoundDetails	parametersXML3:GetCompoundDetailsResult
SearchByMass:parameters	parametersXML:output