Created
November 5, 2009 19:25
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turn list of InChIs into list of SMILES
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| import pybel | |
| output = file('smiles.txt','w') | |
| for inchi in file('inchis.txt'): | |
| molecule = pybel.readstring("inchi",inchi) | |
| output.write( molecule.write('smiles') ) |
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