OpsinManager - Githubissues

egonw / bacting

Bacting is an open-source platform for chemo- and bioinformatics based on Bioclipse that defines a number of common domain objects and wraps common functionality, providing a toolkit independent, scriptable solution to handle data from the life sciences.

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OpsinManager #30

Closed egonw closed 3 years ago

egonw commented 3 years ago

[x] public ICDKMolecule parseIUPACName(String iupacName, IProgressMonitor monitor)
[x] public String parseIUPACNameAsCML(String iupacName, IProgressMonitor monitor)
[x] public String parseIUPACNameAsSMILES(String iupacName, IProgressMonitor monitor)