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Items tagged with "structure" (5)

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Workflows (5)
Taverna 1

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Workflow GlobPlotExample (v1)

Created: 30/04/08 @ 13:14:43 | Last updated: 30/04/08 @ 14:45:47

Credits: User Niall Haslam

License: Creative Commons Attribution-Share Alike 3.0 License

Globplotexample_19140_1
This is a sample for how to get the new GlobPlot native disorder and globularity prediction webservice working. At the moment it seems you need all the parameters - even the optional ones filled in, to work in taverna.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

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Taverna 1

Original Uploader

Workflow EBI_MaxSprout (v2)

Created: 05/06/08 @ 21:44:00 | Last updated: 06/06/08 @ 05:58:17

Credits: User Hamish McWilliam

Attributions: Workflow Structure_or_ID

License: Creative Commons Attribution 3.0 License

Ebi_maxsprout_28245_2
Generation of protein backbone and side chain co-ordinates from a C(alpha) trace using the MaxSprout tool. The EBI's WSMaxsprout service (see http://www.ebi.ac.uk/Tools/webservices/services/maxsprout) is used to access the tool.

Rating: 0.0 / 5 (0 ratings) | Versions: 2 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 270 times | Downloaded: 254 times

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Taverna 1

Original Uploader

Workflow Structure_or_ID (v1)

Created: 06/06/08 @ 05:57:31

Credits: User Hamish McWilliam

License: Creative Commons Attribution 3.0 License

Structure_or_id_20492_1
Given a structure or structure entry identifer (e.g. PDB:1crn), return the structure in PDB format. If a structure identifier, in database:identifier format, is input the EBI's WSDbfetch web service (see http://www.ebi.ac.uk/Tools/webservices/services/dbfetch) is used to retrive the structure in PDB format. Otherwise the input is assumed to be a formated structure and is passed through to the output.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

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Taverna 1

Original Uploader

Workflow EBI_DaliLite (v1)

Created: 07/06/08 @ 17:16:37

Credits: User Hamish McWilliam

License: Creative Commons Attribution 3.0 License

Ebi_dalilite_18781_1
Pairwise structure comparison using the DaliLite tool. The EBI's WSDaliLite web service (see http://www.ebi.ac.uk/Tools/webservices/services/dalilite) is used to access the tool.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 217 times | Downloaded: 208 times

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Taverna 1

Original Uploader

Workflow Retrieve Single Molecule from ZINC - structure and figure (v1)

Created: 24/08/08 @ 22:52:26 | Last updated: 25/08/08 @ 21:57:16

Credits: User Steffen Möller

License: Creative Commons Attribution-Share Alike 3.0 License

Retrieve_single_molecule_from_zinc_-_structure_and_figure_19577_1
The ZINC database (http;//zinc.docking.org) is a collection of substances with known structures and some chemical characterisation that are commercially available. It is freely available and a much respected resource for computational screening for functional compounds. With the ZINC ID at hand, the ZINC web site is contacted and from there the URL parsed the refence to the real data. This workflow does not scale for regular docking applications. One would retrieve a collection of data inst...

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 1 | Citations: 0

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