LoadInChI.code.md

LoadInChI.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

inchi.load()
inchi.isLoaded()

Bacting

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

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

workspaceRoot = "../ws"
opsin = new net.bioclipse.managers.OpsinManager(workspaceRoot);
inchi = new net.bioclipse.managers.InChIManager(workspaceRoot);

inchi.load()
inchi.isLoaded()

Output