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mojaie/gist:4359153

Last active December 10, 2015 01:34
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gistfile1.java
// 3D→2D変換
tructureDiagramGenerator sdg = new StructureDiagramGenerator();
sdg.setMolecule(molecule);
try {
sdg.generateCoordinates();
} catch (CDKException e) {
e.printStackTrace();
}
molecule = sdg.getMolecule();
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