Egon Willighagen's Workflows
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Calculate molecular mass for entries in a ...
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Simple script to demonstrate how to iterate over entries in a MDL SD file and calculate some molecular property.
Created: 2010-03-08
Credits:
Convert a SMILES string into a connection ...
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Bioclipse script that converts a SMILES string into a LaTeX table of the connection table of the molecule.
Created: 2009-12-16
Credits: