Created
March 24, 2009 16:17
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| mol = cdk.fromSMILES("C(C1C(C(C(C(O1)O)O)O)O)O"); | |
| mol = cdk.addExplicitHydrogens(mol); | |
| cdk.generate3dCoordinates(mol); | |
| fileName = "/Virtual/" + cdk.molecularFormula(mol) + ".cml"; | |
| cdk.saveMolecule(mol, fileName, true); | |
| ui.open(fileName); | |
| jmol.minimize(); | |
| jmol.run("move 0 360 90 -20 0 0 0 0 5"); |
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