Workflows

smiles-identity-idlist (2)

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Performs a search in Pubchem for compounds similar to an input compound represented in SMILES notation. This workflow is based on the original smiles-identity-idlist workflow written by the PubChem team @ NCBI (http://pubchem.ncbi.nlm.nih.gov/).

Created: 2010-07-16 | Last updated: 2010-07-16

PubChem substructure search (2)

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Search PubChem Compound for structures containing the one given by the structure key input, based on a user-selected level of chemical identity: connectivity only, match isotopes and/or stereo, etc. The original workflow was written by the PubChem team @ NCBI (http://pubchem.ncbi.nlm.nih.gov/).

Created: 2010-07-16 | Last updated: 2010-07-16

download (2)

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Given a list key, prepare for download a file containing those records in the selected format. The original workflow was written by the PubChem team @ NCBI (http://pubchem.ncbi.nlm.nih.gov/).

Created: 2010-07-16 | Last updated: 2010-07-16

Credits: Peter Li

Call VSO web service with HELIO input data (1)

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  date transformation from 2000-10-02T23:00:00 to 20001002230000 HELIO instrument names as in http://helio-dev.i4ds.ch/xsd/instruments.xsd spitt into source and instrument names; if these pair don't exist only first part (source) is tried.

Created: 2010-08-04 | Last updated: 2010-08-04

Credits: Anja Le Blanc

Predict chemical solubility in solvents (2)

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Predicts solubility in molar units for a given chemical compound represented as a SMILES string in a given solvent. Uses a beanshell script to enable the user to select the solvent from a list.

Created: 2010-08-04 | Last updated: 2010-08-04

Credits: Peter Li

AUTOSTRUCTURE (4)

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This is a simple workflow designed to run AUTOSTRUCTURE with an user selected input. The code is a full implementation of the program AUTOSTRUCTURE developed by N. R. Badnell. The entire capability of the original program for arbitrary structure, Auger rate and Radiative rate calculation has been retained. However input driver file selection, driver templates, output selection and output routing have been enabled within the ADAS framework to simplify the production of two types of data, name...

Created: 2010-08-04 | Last updated: 2011-02-27

Predict Abraham descriptors (1)

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Predicts descriptor values using a model derived from a linear regression analysis of the Open Notebook Science solubility data and literature values. The workflow returns all the Abraham descriptors E, S, A, B and V in a HTML file.Predicts descriptor values using a model derived from a linear regression analysis of the Open Notebook Science solubility data and literature values

Created: 2010-08-05 | Last updated: 2010-08-05

Credits: Peter Li

Generate CombiUgi library (1)

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Generates a CombiUgi library using data from a Goolgle spreadsheet containing smiles strings of compounds to undergo virtual Ugi reactions

Created: 2010-08-10 | Last updated: 2010-08-10

Credits: Peter Li Romney

KEIO Bioinformatics Web Service - a genera... (2)

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This workflow generates a sequence logo image for a set of amino acid sequences of FOXP2 gene, by downloading the amino acid sequences in Fasta format through Togo Web Service with UniProt identifiers (togoWS, provided by the G-language Genome Analysis Environment SOAP Service), running BLAST web service (runBLAST), retrieving a set of sequences from ID list (togoWS), aligning the sequence with MUSCLE (runMUSCLE), extracting a certain region from the alignment (extractalign, provided by Soapl...

Created: 2010-08-13 | Last updated: 2010-11-19

Credits: cory (Kazuki Oshita)

caArray (1)

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preprocess data before it is sent to any GenePattern services.

Created: 2010-08-14 | Last updated: 2010-08-14

Credits: Wei Tan

Testing caBIG workflow (1)

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An example workflow to test the installation of caGrid Workflow Suite and the submission of a workflow to a caGrid workflow service.

Created: 2010-08-17 | Last updated: 2010-08-17

Credits: Wei Tan

instruments in sxr and euv spectrum (1)

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ICS use case 5

Created: 2010-08-20 | Last updated: 2010-08-20

Credits: Anja Le Blanc

Retrieve a protein from the GPCRDB (1)

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This small workflow illustrates how to use the web service access provided by the GPCRDB in Taverna. The proteinId input field is case sensitive and by default the identifiers in the GPCRDB are lowercase. You can try this mini-workflow with e.a. 'adrb2_human'.

Created: 2010-08-24 | Last updated: 2010-08-24

Credits: Bas Vroling

BLAST against the GPCRDB (1)

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With this workflow you can submit a BLAST query to the GPCRDB. Input requires a sequence with amino acids only.

Created: 2010-08-24 | Last updated: 2010-08-24

Credits: Bas Vroling

Create custom-made GPCR alignments (1)

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This workflow allows you to create your own GPCR alignments. The alignments are built from the residues that are annotated with the general residue numbers. Alignments are therefore not built using standard alignment algorithms but are created by selecting residues that are likely to share the same position in the three-dimensional structure. Users can select the proteins and residue positions that should be aligned, allowing for the creation of e.g. an alignment of all binding pocket residue...

Created: 2010-08-24 | Last updated: 2010-08-24

Credits: Bas Vroling

Cow SNP annotation (1)

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SNP annotation

Created: 2010-09-03 | Last updated: 2010-09-03

Credits: Mkh

Split text/string into its lines and filte... (2)

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When retrieving a URL or soemthing alike, one can often identify the region of interest as a single line. Besides the expected output, also some interim values, like the lines split are forwarded, to allow some straight-forward cascading of filters with reduced redundancy.

Created: 2009-08-19

Credits: Steffen Möller

Spreadsheet Importer (1)

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This workflow is designed to import a spreadhseet from a local computer. The imported spreadsheet is parsed to extract the first two columns, A and B, for all rows in the spreadsheet. These are returned as two separate outputs.

Created: 2009-08-24

Credits: Paul Fisher

caDSR Data service query in caGrid (3)

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This workflow is used as an example in this wiki article: https://wiki.cagrid.org/display/knowledgebase/How+to+Create+CaGrid+Workflow+Using+Taverna+2   Tested with Taverna 2.1.2 as of 6/10/2010

Created: 2010-05-25 | Last updated: 2010-06-11

Credits: Wei Tan

chicken_ensembl_gene_id (1)

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Accepts a chromosome eg. 1 and returns the ensembl gene ids for that chromosome

Created: 2009-09-07 | Last updated: 2009-09-09

Credits: Rory

Get Bioentity from Organism (1)

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GeNS workflow that lists the identifiers corresponding to a given species and data type. For instance, list all OMIM associated with the human species. Disclaimer: This workflow is just a simple example designed for academic purposes.

Created: 2009-09-08 | Last updated: 2009-09-14

Credits: Pedro Lopes

Sample Entity Converter (1)

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 Disclaimer: This workflow is just a simple example designed for academic purposes.

Created: 2009-09-08 | Last updated: 2009-09-14

Credits: Pedro Lopes

Workflow for provenance testing -- example 1 (1)

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this simply includes a few beanshells and is used for testing our provenance capture and query algorithms

Created: 2009-09-10

Credits: Paolo

example of a 2-deep nested workflow (1)

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used for testing provenance as well as experimenting with Scufl2 specfications

Created: 2009-09-11

Credits: Paolo

EBI_InterProScan_T2 (1)

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Perform an InterProScan analysis of a protein sequence using the EBI’s WSInterProScan service (see http://www.ebi.ac.uk/Tools/webservices/services/interproscan). The input sequence to use and the user e-mail address are inputs, the other parameters for the analysis (see Job_params) are allowed to default. InterProScan searches a protein sequence against the protein family and domain signature databases integrated into InterPro (see http://www.ebi.ac.uk/interpro/). A set of matches to the s...

Created: 2009-09-11

Credits: Steve Crouch Stian Soiland-Reyes

Search GeNS BioEntity (1)

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 This workflow returns a list of know associations between an organism and a data type. All identifiers correspond to GeNS database identifiers.    Disclaimer: This workflow is just a simple example designed for academic purposes.

Created: 2009-09-15 | Last updated: 2009-09-15

Credits: Pedro Lopes

Search GeNS DataType (1)

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 This workflow returns a single GeNS identifier corresponding to the given data type.    Disclaimer: This workflow is just a simple example designed for academic purposes.

Created: 2009-09-15

Credits: Pedro Lopes

Search GeNS Organism (1)

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 This workflow returns a GeNS identifier for a given organism.    Disclaimer: This workflow is just a simple example designed for academic purposes.

Created: 2009-09-15

Credits: Pedro Lopes

BioMart and Emboss Analysis (T2) (1)

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This is the Taverna 2 version of the Biomart and Emboss Analysis workflow http://www.myexperiment.org/workflows/158   Using Biomart and EMBOSS soaplab services, This workflow retrieves a number of sequences from 3 species: mouse, human, rat; align them, and returns a plot of the alignment result. Corresponding sequence ids are also returned. Previous versions of this workflow only returned sequences with an ID mapped to a MIM_morbid_accession. This was primarily to reduce the numbe...

Created: 2009-09-15

Credits: Katy Wolstencroft Alan Williams

Attributions: BiomartAndEMBOSSAnalysis

Example 3 (1)

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Search in the Datenbank SWISS the Sequence 1220173

Created: 2009-10-20

Credits: Ruben

sample workflow (1)

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No description

Created: 2009-10-21 | Last updated: 2009-10-21

Credits: Vikramkumra NIU-CSCI647

What is [query] from NCBI, EBI, UniProt an... (2)

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test values: query = paget disease query = pdb4 query = hk1 query = h1n1 This rdfiser query those four federated search services EB-Eye, KEGG LinkDB, NCBI Entrez and UniProt knowledgebase. RDF triples are returned for search statistics with Bio2RDF normalised URIs. This workflow should be used responsibly because it can generate high load at the provider resources. test values: query = paget disease query = pdb4 query = hk1 query = h1n1 query = paget disease query = pdb4 query = hk1 que...

Created: 2009-11-03 | Last updated: 2009-11-03

Credits: Francois Belleau

find events in xray and radio (7)

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instruments: hessiEC, phoenix2 attention: hessi name has changed!

Created: 2010-03-16 | Last updated: 2010-03-16

Credits: Anja Le Blanc

getTimololFromMassBank (1)

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This workflow will retrieve a peaklist from a fixed entry (Timolol) from the MassBank spectral library. Note, the API is still in alpha, as of 10.11.2009.  

Created: 2009-11-10 | Last updated: 2009-11-10

Credits: http://sneumann.pip.verisignlabs.com/

blastp using the MRS system (1)

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This blastp workflow uses the blast service of MRS (http://mrs.cmbi.ru.nl). Inputs are a sequence (only amino acids, not a fasta sequence) and a database. Databases that can be used are "sprot", "uniprot", "trembl", "pdb", "refseq", "ipi" and "gpcrdb".

Created: 2009-11-10

Credits: Bas Vroling

Beanshell Test (1)

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A test workflow that uses beanshell services

Created: 2009-11-10

retrieving solar monitor urls for votable ... (1)

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No description

Created: 2009-11-12 | Last updated: 2009-11-12

Credits: Anja Le Blanc

workflow1 (1)

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blast dando o ID de uma proteinablast dando o ID de uma proteina ex: database is ‘SWISS’, for program, ‘blastp’, and for ID ‘1220173blast dando o ID de uma proteina ex: database is SWISS’, for program, blastp, and for ID 1220173

Created: 2009-11-16

Credits: Jorgep

workflow1 (1)

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blast dando o ID de uma proteinablast dando o ID de uma proteina ex: database is ‘SWISS’, for program, ‘blastp’, and for ID ‘1220173blast dando o ID de uma proteina ex: database is SWISS’, for program, blastp, and for ID 1220173

Created: 2009-11-16

Credits: Susaninha

Ex (1)

Ex of exercise

Created: 2009-11-16

Credits: Mventosa

Attributions: EBI_InterProScan for Taverna 2

workflow1 (1)

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blast dando o ID de uma proteinablast dando o ID de uma proteina ex: database is ‘SWISS’, for program, ‘blastp’, and for ID ‘1220173blast dando o ID de uma proteina with interpro scan ex: database is SWISS’, for program, blastp, and for ID 1220173blast dando o ID de uma proteina ex: database is SWISS’, for program, blastp, and for ID 1220173

Created: 2009-11-16

Credits: Jorgep

Attributions: EBI_InterProScan for Taverna 2

Multiple Choice Quiz (1)

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A multiple choice quiz constructed using the select webservice, control links and looping strategy.

Created: 2009-11-16

Credits: George

Search for BMURI in PubMed [myexperiment:p... (1)

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test values: subkecttest values: query = bio2rdf graph = http://bio2rdf query = nur77 AND Rouillard,C graph = http://nur77 test values: query = bio2rdf graph = http://bio2rdf query = nur77 AND Rouillard,C graph = http://nur77 query = labrie graph = http://labrie

Created: 2009-11-17

Credits: Francois Belleau

Search for citations and related article i... (1)

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graph = http://nur77 bmuri = http://bio2rdf.org/pubmed:18843482 http://bio2rdf.org/pubmed:18466322 http://bio2rdf.org/pubmed:17201484 http://bio2rdf.org/pubmed:14603264 http://bio2rdf.org/pubmed:12629527

Created: 2009-11-17

Credits: Francois Belleau

Sponge into Virtuoso triplestore the neede... (2)

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query = labrie,f query = labrie query = labrie,f query = labrie query = h1n1 query = morissette,j query = labrie,f query = labrie query = h1n1 Get a list of paper from pubmed.

Created: 2009-11-17 | Last updated: 2009-11-27

Credits: Francois Belleau

iceLogo (1)

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This example workflow creates an iceLogo

Created: 2010-05-07 | Last updated: 2010-05-07

Credits: N. Colaert

Query caArray data service and retrieving ... (2)

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need to install Taverna 2 caGrid integration suite from http://www.mcs.anl.gov/~wtan/t2/ and get a cagrid Dorian account (see http://wiki.cagrid.org/display/caGrid13/Home)

Created: 2010-05-24 | Last updated: 2010-05-24

Credits: Wei Tan

Federated query using DCQL and credential ... (2)

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CDS_Activity issues an EPR of the delegated credential. FQP uses this EPR to fetch the actual delegated credential from CDS and uses it to invoke multiple data services (the query activity) on behalf of the invoker. CDS_Activity issues an EPR of the delegated credential. FQP uses this EPR to fetch the actual delegated credential from CDS and uses it to invoke multiple data services (the query activity) on behalf of the invoker. Need to install Taverna 2 caGrid integration suite from http://ww...

Created: 2010-05-11 | Last updated: 2010-11-05

Credits: Wei Tan

Homology workflow (1)

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There are many kinds of DNA data derived from many species in DDBJ. It makes possible to carry out the comparative study of genes of multiple species. The workflow provides a list of species and their genes that are similar to a human gene in response to a name of the human gene.

Created: 2010-05-12 | Last updated: 2010-05-12

Credits: wabi

Nucleotide frequency workflow (2)

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No description

Created: 2010-05-13 | Last updated: 2010-11-12

Credits: wabi