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rwest/snippet.sc

Created November 5, 2009 19:25
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turn list of InChIs into list of SMILES
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snippet.sc
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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