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ChemSpiderDownload.groovy

Source code

The source code may use or refer to content in a local workspace. This Bioclipse workspace used can be found on GitHub.

Bioclipse 2.6

chemspider.download(9606)
println chemspider.download(9606)

Bacting

To run this code, you first need to install Bacting (Groovy) or pyBacting (Python). 

@Grab(group='io.github.egonw.bacting', module='managers-chemspider', version='0.1.2')

workspaceRoot = "../ws"
chemspider = new net.bioclipse.managers.ChemspiderManager(workspaceRoot);

chemspider.download(9606)
println chemspider.download(9606)

Output

CDKMolecule:C3H4ClF3