Original Uploader

Thomasku

ART2A Classification Workflow (v1)

Created: 17/11/08 @ 13:48:20 | Last updated: 17/11/08 @ 13:48:21

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow loads a vector from a database and performs an ART2A classification. The ART2A classificator contains various options which are changeable within the stored workflow configuration file. There is no UI for these content available.

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Viewed: 18 times | Downloaded: 10 times

Original Uploader

Thomask...

Download pathways for external references list (v2)

Created: 16/09/08 @ 11:32:47 | Last updated: 14/11/08 @ 14:38:31

Credits: Thomaskelder

Attributions: CloneItemsInList

License: Creative Commons Attribution-Share Alike 3.0 License

Takes a list of external references to genes/proteins/metabolites, finds all pathways on WikiPathways that contain one of the given genes/proteins/metabolites and downloads them in a given file format.

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Viewed: 167 times | Downloaded: 122 times

Original Uploader

Thomask...

Write pathway to disk (v2)

Created: 16/09/08 @ 11:20:54 | Last updated: 14/11/08 @ 14:21:13

Credits: Thomaskelder

License: Creative Commons Attribution-Share Alike 3.0 License

Downloads and writes a pathway from WikiPathways to a local disk in the given file type.

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Viewed: 134 times | Downloaded: 139 times

Original Uploader

Soton sbs

multi-gridsam-gopher (v1)

Created: 11/11/08 @ 17:26:55 | Last updated: 13/11/08 @ 16:41:33

Credits: Soton sbs

License: Creative Commons Attribution-Share Alike 3.0 License

Generation of Orthologous Proteins from High-Throughput Estimation of Relationships This workflow uses GOPHER to take in two protein sequence files and generate datasets of orthologous sequence alignments. The first [seqin] sequence set is the 'queries' around which orthologous datasets are to be assembled. This is now optimised for a dataset consisting of one protein per protein-coding gene, although splice variants should be dealt with OK and treated as paralogues. The second [orthdb] ...

Rating: 3.0 / 5 (1 rating) | Versions: 1 | Reviews: 0 | Comments: 1 | Citations: 0

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Original Uploader

Thomasku

Molecular Weight Distribution (v1)

Created: 07/11/08 @ 14:18:33 | Last updated: 07/11/08 @ 14:18:34

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow calculates the molecular weight of molecules stored in a postgres sql database with the Pgchem::tigress chemoinformatics cardridge. The cardridge perform the molecular weight calculation. The get a moleculear weight distribution worker creates a chart of the available data.

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Viewed: 60 times | Downloaded: 38 times

Original Uploader

Thomasku

Topological Substructure Search Workflow (v1)

Created: 06/11/08 @ 16:59:02 | Last updated: 06/11/08 @ 16:59:03

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow performs a topological substructure search. The molecules to be searched are loaded from a MDL SD file. The substructure is loaded from a SMILES (workflow input). The matched molecules are converted to CML and for the molecules which do not contain the substructure the InChI is generated.

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Original Uploader

Thomasku

Substructure Search On Database (v1)

Created: 06/11/08 @ 12:02:18 | Last updated: 06/11/08 @ 12:02:19

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow takes as input a SMILES. This represents the substructure, for which the database gets searched. The output of this workflow is a PDF showing the 2D structures of the matched structure from the substructure search on the database.

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Viewed: 50 times | Downloaded: 38 times

Original Uploader

Thomasku

Extraction of atom typing problems after loading of molecules from database (v1)

Created: 05/11/08 @ 17:30:38 | Last updated: 05/11/08 @ 17:30:39

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

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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Viewed: 49 times | Downloaded: 44 times

Original Uploader

Thomasku

InsertMoleculesIntoDatabase (v1)

Created: 05/11/08 @ 10:30:39 | Last updated: 05/11/08 @ 10:30:40

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 License

This workflow load molecules into a database. The molecules originally are stored in a MDL SD file. As workflow input an origin is added to each molecule which gets stored into the database. The output of the workflow shows logs from the database insert process.

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Original Uploader

Glatard

Sample grid workflow (v1)

Created: 24/10/08 @ 14:30:26 | Last updated: 31/10/08 @ 12:13:24

Credits: Glatard

License: Creative Commons Attribution-Share Alike 3.0 License

This is a sample workflow submitting jobs to the EGEE grid using the Generic Application Service Wrapper (GASW). The job submission service has to be installed locally.

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Viewed: 112 times | Downloaded: 65 times