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Iterative loading of molecules from database with aromaticity detection

Workflow Entry: Iterative loading of molecules from database with aromaticity detection

Created at: 03/11/08 @ 14:28:31

| License | Credits (1) | Attributions (0) | Tags (7) | Featured in Packs (0) | Ratings (0) | Attributed By (0) | Favourited By (0) |
| Citations (0) | Version History | Reviews (0) | Comments (1) |

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Version 1 (of 1)

Version created on: 03/11/08 @ 14:28:32 by: Thomasku | Revision comments Expand

Title: Iterative loading of molecules from database with aromaticity detection

Type: Taverna 1

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Description

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.

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Information Original Uploader

Thomasku

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Thomasku

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CDK-Taverna

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Information Statistics

429 viewings

677 downloads

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Version History

Earliest Version:
[1] - Iterative loading of molecules from database with aromaticity detection

Created on: Monday 03 November 2008 @ 14:28:32 (GMT)

Created by: Thomasku

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Giovanni Dall'Olio

I am not sure I understand what this workflow does.

Can you provide some use case/example?

It loads all the sequences in a database (which database?), one by one, and then write down the ids of the aromatic ones. Is this correct?

Other workflows that use similar services (0)

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Non-Information Resource URI: http://www.myexperiment.org/workflows/551

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