Workflow Entry: Calculate molecular mass for entries in a SD file

Created at: 08/03/10 @ 09:46:03
Information Version 1 (of 1)

Version created on: 08/03/10 @ 09:46:04 by: Egon Willighagen   |   Revision comments Expand

Title: Calculate molecular mass for entries in a SD file

Type: Bioclipse Scripting Language


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


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Version History

Earliest Version:
[1] - Calculate molecular mass for entries in a SD file

Created on: Monday 08 March 2010 @ 09:46:04 (GMT)

Created by: Egon Willighagen

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Non-Information Resource URI: http://www.myexperiment.org/workflows/1087


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