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Package CHEM :: Package DB :: Module PubChemConvert :: Class PubChemConvert
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Class PubChemConvert



Convert the contents of the input stream (probably database dump), interpreted as a molecule file, into a molecule (SDF) file with SD tags appropriate for PubChem.

Note that this could be used as a basic molecule format converter as well. It would just add some extra SD tags and those wouldn't even show up unless the output format is SDF.

Instance Methods [hide private]
 
__init__(self, screen=None)
Constructor
 
convert(self, oeis, oeos)
Primary execution method.
Method Details [hide private]

convert(self, oeis, oeos)

 
Primary execution method. Converts the contents of the oemolistream to the oemolostream. Assumes the molecule titles is the chemical ID.

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