Generate inChi information

Created: 2010-07-09 10:22:29 Last updated: 2010-07-09 10:23:47

Uses the GenerateInchiInfo web service operation from ChemSpider to generate information relating to the InChi string for a given chemical compound

Option 1:

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Authors (1)

Titles (1)

Descriptions (1)

Dependencies (0)

Inputs (5)

Name	Description
compound	A chemical compound represented by its SMILES string, SDF or MOL file
format	A value of MOL or SDF or SMILES or InChI to describe format of the chemical compound input
version	Version of Inchi information to generate. A value of v102b or v102s can be provided.
stereo	Information to describe the stereochemistry of the chemical compound. A vaule of No or Absolute or Relative or Racemic can be provided. No or Absolute or Relative or Racemic
fixedH	A boolean value of true or false

Processors (4)

Name	Type	Description
GenerateInChIInfo	wsdl	Wsdl http://www.chemspider.com/InChI.asmx?WSDL Wsdl Operation GenerateInChIInfo
GenerateInChIInfo_input	xmlsplitter
GenerateInChIInfo_output	xmlsplitter
GenerateInChIInfo_flags	xmlsplitter

Beanshells (0)

Outputs (1)

Name	Description
inchiInformation

Datalinks (9)

Source	Sink
GenerateInChIInfo_input:output	GenerateInChIInfo:parameters
GenerateInChIInfo_flags:output	GenerateInChIInfo_input:flags
compound	GenerateInChIInfo_input:str
format	GenerateInChIInfo_input:format
GenerateInChIInfo:parameters	GenerateInChIInfo_output:input
version	GenerateInChIInfo_flags:version
stereo	GenerateInChIInfo_flags:stereo
fixedH	GenerateInChIInfo_flags:fixedH
GenerateInChIInfo_output:GenerateInChIInfoResult	inchiInformation