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For Workflow: Iterative loading of molecules from database with aromaticity detection
Iterative loading of molecules from databa... (1)
This workflow loads molecules from a database in an iterative manner using the SQL commands LIMIT and OFFSET.
After the loading each molecule goes through an atom typing perception before the Hueckel Aromaticity Detector tries to detect the aromaticity. All id of the aromatic molecules will be written wo a text file.
Created: 2008-11-03
Credits: Thomasku