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egonw/gist:48101

Created January 16, 2009 20:24
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gistfile1.js
// Bioclipse variant of SMILES Depict
var smiles = "CC=O"
var aceticAcid = cdk.fromSMILES(smiles)
aceticAcid = cdk.generate2dCoordinates(aceticAcid)
cdk.saveMDLMolfile(aceticAcid, "/Virtual/aceticAcid.mol")
ui.open("/Virtual/aceticAcid.mol") // should open JChemPaint
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