Created
April 15, 2009 14:09
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Basic manipulation of multiple mols
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| //Demonstrates basic manipulation of multiple molecules in Bioclipse | |
| //Requires sample data installed in default location | |
| mols=cdk.loadMolecules("/Sample Data/SDF/Fragments2.sdf") | |
| mols.size() | |
| mol=mols.get(3) | |
| cdk.calculateSMILES(mols.get(4)) | |
| ui.open(mols) |
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