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EBI_MaxSprout

Workflow Entry: EBI_MaxSprout

Created at: 05/06/08 @ 21:44:00 Last updated: 06/06/08 @ 05:58:16

Version 2 (latest) (of 2)

Version created on: 05/06/08 @ 21:44:00 by: Hamish McWilliam | Revision comment Expand

Last edited on: 06/06/08 @ 05:58:16 by: Hamish McWilliam

Title: EBI_MaxSprout

Type: Taverna 1

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Description

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.

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Workflow Components

Inputs (2)

Name	Description
Structure_or_ID	Input C(alpha) trace in PDB format. Either the actual structure data or an entry identifier in database:identifier format (e.g. PDB:1crn.).
Email_address	User e-mail address.

Processors (8)

Name	Type	Description
Contents_list	local	Wrap input data in list.
Input_data	local	Add type to input data.
Job_params	local	Parameters for job.
Unpack_result	local	Unpack byte[] into string.
runMaxsprout	arbitrarywsdl	Submit a MaxSprout job (see http://www.ebi.ac.uk/Tools/webservices/services/maxsprout#runmaxsprout_params_content) See the Service entry for this web service.
EBI_MaxSprout_poll_job	workflow	Check job status. Fails if not done.
Get_result	arbitrarywsdl	Get the results of a job (see http://www.ebi.ac.uk/Tools/webservices/services/maxsprout#poll_jobid_type) See the Service entry for this web service.
Structure_or_ID	workflow

Beanshells (3)

Name	Description	Inputs	Outputs
Is_done		job_status	is_done
Is_structure	Return true if the input is a structure or false if the input is a structure identifer (e.g. PDB:1crn).	structure	is_structure
Use_structure	Pass the input structure to the output.	in_structure	out_structure

Outputs (2)

Name	Description
MaxSprout_result	MaxSprout backbone and side chain co-ordinates in PDB like format.
Input_structure	Input structure in PDB format. If a structure identifier is used as input, this is the corresponding structure from PDB, otherwise this will be the same as the input.

Links (11)

Source	Sink
Contents_list:output	runMaxsprout:content
Email_address	Job_params:email
Get_result:output	Unpack_result:bytes
Input_data:output	Contents_list:WSArrayofData
Job_params:output	runMaxsprout:params
Structure_or_ID	Structure_or_ID:Structure_or_ID
Structure_or_ID:Structure	Input_data:content
Structure_or_ID:Structure	Input_structure
Unpack_result:string	MaxSprout_result
runMaxsprout:jobid	EBI_MaxSprout_poll_job:Job_ID
runMaxsprout:jobid	Get_result:jobid

Coordinations (1)

Controller	Target
EBI_MaxSprout_poll_job	Get_result

Information Workflow Type

Taverna 1

Information Original Uploader

Hamish McWilliam

Information License

All versions of this Workflow are licensed under:

Information Credits (1)

(People/Groups)

Hamish McWilliam

Information Attributions (1)

(Workflows/Files)

Structure_or_ID

Information Tags (6)

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Information Featured In Packs (2)

Private pack
EMBL-EBI Web Services (retired)

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Information Favourited By (0)

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Information Statistics

904 viewings

975 downloads

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Citations (0)

None

Version History

In chronological order:

EBI_MaxSprout

Created by Hamish McWilliam on Thursday 05 June 2008 @ 21:44:00 (UTC)
EBI_MaxSprout

Created by Hamish McWilliam on Thursday 05 June 2008 @ 21:44:00 (UTC)

Last edited by Hamish McWilliam on Friday 06 June 2008 @ 05:58:16 (UTC)

Revision comment:

Allow structure ID (e.g. PDB:1crn) input as well as structure coordinates in PDB format.

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Viewed: 117 times | Downloaded: 85 times

Tags (3):

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License: Creative Commons Attribution 3.0 Unported License

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