Workflow Entry: EBI_MaxSprout

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

Version 2 (latest) (of 2)

Version created on: 05/06/08 @ 21:44:00 by: Hamish McWilliam | Revision comments 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)
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)
Structure_or_ID	workflow

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)

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