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Items tagged with "mdl sd file" (2)

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Workflows (2)

Workflow Calculate molecular mass for entries in a ... (1)

 Simple script to demonstrate how to iterate over entries in a MDL SD file and calculate some molecular property.

Created: 2010-03-08

Credits: User

Workflow Create a molecules table from a list of IU... (1)

 Scripts that uses OPSIN to convert IUPAC names into chemical structures, which are saved as SD file and openend in the Bioclipse molecules table.

Created: 2011-05-25 | Last updated: 2011-05-25

Credits: User Egon Willighagen

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