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Extraction of atom typing problems after loading of molecules from database

Created: 2008-11-05 17:30:37

This workflow load molecules from the database and than checks whether the perception of the atom types works or not. After the extraction of the database identifier from all molecules which caused problems during this process will the identifier be written to a file.

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Avatar De Thomasku

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Version History

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  1. Extraction of atom typing problems after loading of molecules from database

    Created by Thomasku on Wednesday 05 November 2008 17:30:38 (UTC)



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