Workflows

Microarray CEL file to candidate pathways (2)

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This workflow takes in a CEL file and a normalisation method then returns a series of images/graphs which represent the same output obtained using the MADAT software package (MicroArray Data Analysis Tool) [http://www.bioinf.manchester.ac.uk/MADAT/index.html]. Also retruned by this workflow are a list of the top differentialy expressed genes (size dependant on the number specified as input - geneNumber), which are then used to find the candidate pathways which may be influencing the observed ...

Created: 2007-10-03

querySWS_minimalQuery (2)

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SRS by WS (SWS) is a set of Web Services allowing to retrieve database entries from libraries included in public SRS sites. The querySWS service implement a search on the basis of the database name (lib) and the term to be searched (query). It automatically identifies the best site to query. Additional parameters include in_fields (in which part of the record the terms are searched), out_fields (which information is returned) and site (the SRS site). This workflow is just a demonstration ...

Created: 2007-10-03

Fetch Dragon images from BioMoby v2 (2)

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demonstration to ISSGC07

Created: 2007-10-03

Python script for face and smile detection (1)

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Created: 2019-05-16 | Last updated: 2019-09-27

Credits: George Kargas

Integrated workflow for MSA, Similarity sc... (3)

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Integrated workflow for MSA, Similarity score estimation, and gaps trimming using Clustal Omega and web services at http://bioservices.sci.psu.ac.th/ We demonstrate the workflow using example fasta seqs.

Created: 2016-02-28 | Last updated: 2017-08-16

Credits: Kasikrit Damkliang

Explain concept scores (7)

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Purpose of workflow: This workflow takes two concept ids as input and returns the top ranking "B" concepts according to Swanson's ABC model of discovery, where the relationships AB and BC are known and reported in the literature, and the implicit relationship AC is a putative new discovery. It might also be the case that AC is already known. In that case AC does not represent a new discovery but will still be returned (see workflow example values). The B concepts are returned sorted on the pe...

Created: 2012-02-07 | Last updated: 2014-07-14

Credits: Reinout van Schouwen

RDKit-pains-parallel (2)

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If you like this workflow, please reference our paper doi:10.1002/minf.201100076, and check the related workflows RDKit-pains, and Indigo-pains.*** Update 20151119 - using KNIME 3 and RDKit version of PAINS queries ****** This version contains Parallel processing nodes to take advantage of mutil-core processors ***Implementation of the PAINS filters[1] using the RDKit (3.0.0.201511131320) nodes in KNIME (3.0.1). Original PAINS filters were published in SLN format. This workflow contains the S...

Created: 2011-10-13 | Last updated: 2015-12-01

Credits: sauberns

Attributions: RDKit-pains

EBI_NCBI_BLAST (4)

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This workflow performs an NCBI blast at the EBI. It accepts a protein sequence as input. Default values have been set for the search database (Uniprot), the number of hits to return (10), and all scoring and matrix options. These can be changed in the workflow by altering the string constant values if required. This workflow uses the new EBI services. They are asynchronous and so require looping over the nested workflow (Status) until the workflow has finished. Many of the EBI services now wo...

Created: 2011-01-17 | Last updated: 2013-05-30

Credits: Katy Wolstencroft Hamish McWilliam

Attributions: EBI_NCBI_BLAST

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

Support-Vector-Machine (SVM) based data cl... (2)

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Support-Vector-Machine based data classificationSupport-Vector-Machine based data classification using genePattern SVM service, the input should be in genePattern STATML format.

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

Credits: Wei Tan

G-language Genome Analysis Environment - S... (2)

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This workflow calculates the Student's T-test and Pearson/Spearman correlations. See http://www.g-language.org/ for more information about the G-language Genome Analysis Environment.

Created: 2010-04-05

Credits: cory (Kazuki Oshita)

G-language Genome Analysis Environment - G... (2)

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This workflow calculates and graphs the GC skew (by default, for keto bases, with window size of 1000) of a given genome sequence identifier. Here the genome sequence in Fasta format is downloaded through the Togo Web Service with RefSeq identifier. See http://www.g-language.org/ for more information about the G-language Genome Analysis Environment.

Created: 2010-04-05

Credits: cory (Kazuki Oshita)

G-language Genome Analysis Environment - G... (2)

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This workflow calculates and graphs the GC skew of a given genome sequence (for the entire genome, for only the coding sequences, for only the intergenic regions, and for only the third codon positions), as well as the GC content with sliding windows. See http://www.g-language.org/ for more information about the G-language Genome Analysis Environment.

Created: 2010-04-05

Credits: cory (Kazuki Oshita)

G-language Genome Analysis Environment - G... (2)

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This workflow calculates and graphs the GC skew of a given genome sequence. Use this as a template for using more than 100 analysis programs implemented in G-language Genome Analysis Environment, which can be used in a similar manner. See http://www.g-language.org/ for more information about the G-language Genome Analysis Environment.

Created: 2010-04-05

Credits: cory (Kazuki Oshita)

G-language Genome Analysis Environment - G... (3)

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This workflow calculates and graphs the AT skew of a given genome sequence, using options of gcskew program. See http://www.g-language.org/ for more information about the G-language Genome Analysis Environment.

Created: 2010-04-05 | Last updated: 2011-01-09

Credits: cory (Kazuki Oshita)

G-language Genome Analysis Environment - B... (2)

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Given a numerical vector (array), this workflow calculates the maximum value (max) and its index (maxdex), minumum value (min) and its index (mindex), mean, sum, median, and standard deviation. See http://www.g-language.org/ for more information about the G-language Genome Analysis Environment.

Created: 2010-04-05

Credits: cory (Kazuki Oshita)

G-language Genome Analysis Environment - B... (2)

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This workflow shows simple sequence manipulation functions of G-language GAE, such as random shuffling, obtaining a reverse complement, and translation of nucleotide sequences, and showing basic composition statistics for nucleotide and amino acid sequences. See http://www.g-language.org/ for more information about the G-language Genome Analysis Environment.

Created: 2010-04-05 | Last updated: 2010-04-05

Credits: cory (Kazuki Oshita)

G-language Genome Analysis Environment - B... (2)

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Given an identifier for genome sequence (by default, genome of Mycoplasma genitalium: refseq:NC_000908) or raw sequence data in FASTA format, this workflow calculates and graphs the following properties using the G-language Genome Analysis Environment: GC skew (gcskew), cumulative GC skew (gcskew_cumulative), GC skew of coding/intergenic/GC3 (genomicskew), GC content with sliding windows (gcwin), replication origin and terminus (find_ori_ter), codon usage table (codon_usage), the Codon Adapta...

Created: 2010-04-05 | Last updated: 2010-04-05

Credits: cory (Kazuki Oshita)

XSTAR (3)

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This is a simple workflow designed to run XSTAR with an user selected input. XSTAR is a computer program for calculating the physical conditions and emission spectra of photoionized gases. More information can be found here: - XSTAR home page: http://heasarc.nasa.gov/lheasoft/xstar/xstar.html - XSTAR on the Spinet client (Soaplab2): http://caoba.ivic.ve:8180/soaplab2-axis/

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

Select items from list (1)

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This workflow pops up a window containing an input list of strings. The user is invited to select one or more strings for downstream processing.

Created: 2010-03-30

Credits: Peter Li

Copasi time simulation of SBML model (1)

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Uses the synchronous Copasi time simulation web service to predict the concentrations of species over a time period. The results from Copasi are provided in SBRML format which is visualised as a graph using an R script.

Created: 2010-03-26

Credits: Peter Li

SBML model optimisation (1)

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This workflow modifies reaction kinetic parameters against experimental data stored in the MCISB key results database

Created: 2010-03-26

Credits: Peter Li

SBML model parameterisation (1)

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This workflow parameterises an SBML model generated by the qualitative SBML model construction workflow

Created: 2010-03-26

Credits: Peter Li

Construction of skeleton SBML model using ... (1)

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This workflow generates a skeleton SBML model consisting of the metabolic reactions for a given subsystem term.

Created: 2010-03-26 | Last updated: 2010-03-26

Credits: Peter Li

Construction of skeleton SBML model using ... (1)

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This workflow generates a skeleton SBML model consisting of the metabolic reactions for a given list of yeast enzymes ORF numbers

Created: 2010-03-26 | Last updated: 2010-03-26

Credits: Peter Li

Download QSAR data sets using the OpenTox ... (1)

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Created: 2010-03-22

Credits: Egon Willighagen

Sage bionetwork demo workflow (1)

This workflow performs key driver analysis and displays the results in Cytoscape.

Created: 2010-03-22

Credits: Peter Li

blastp of target vs source database (1)

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This worlflow allows the user to input two sets of proteins in fasta format. One file is converted to a database using formatdb, the set is blasted against this database to test for Blast hits. Users is able to set eValue and destination of files for database and blast file. Arguments can be added to either formatdb or blast in beanshell supplied. Blast and formatdb must be installed locally and the correct filepaths for these applications must entered into the workflow accordingly.

Created: 2010-03-19 | Last updated: 2010-03-19

Credits: Ian Laycock nclteamc

Attributions: fetchEnsemblSeqsAndBlast

Kegg pathway diagrams (3)

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Find pathways in which all the genes in the list are involved. For each pathway draw the pathway diagram.Find pathways in which all the genes in the list are involved. For each pathway draw the pathway diagram. Colour all enzyme boxes with colours specified. This workflow still has one problem. The list of colours have to be specified. I would like ideally to only except one background and one foreground colour and expand that to a list with length equivalent to the number of enzymes found - ...

Created: 2010-03-19 | Last updated: 2010-03-19

BlastandParse2 (1)

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This workflow allows you to configure a BioMart query to fetch sequences you want from Ensembl. These sequences are retrieved and a blast database of them is created (by default, in the directory you ran taverna from). Warning: This workflow assumes that you have blastall and formatdb installed on the machine, and that by default, these are both found or linked in /usr/local/bin. It also assumes that you have write permission to the directory you have run taverna from. The beanshells "creat...

Created: 2010-03-19

Credits: Baywatch Solutions

Attributions: fetchEnsemblSeqsAndBlast

BlastandParse1 (1)

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This workflow allows you to configure a BioMart query to fetch sequences you want from Ensembl. These sequences are retrieved and a blast database of them is created (by default, in the directory you ran taverna from). Warning: This workflow assumes that you have blastall and formatdb installed on the machine, and that by default, these are both found or linked in /usr/local/bin. It also assumes that you have write permission to the directory you have run taverna from. The beanshells "creat...

Created: 2010-03-19

Credits: Baywatch Solutions

Attributions: fetchEnsemblSeqsAndBlast

NMR Spectrum similarity search witn SWI-Pr... (1)

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With the SWI-Prolog (currently in experimental stage, and available from GitHub) plugin Prolog programs can be accessed inside Bioclipse’s scripting environment for querying and other processing of RDF triples. The prolog code in this Bioclipse script performs a simple spectrum similarity search based on a list of peak shift values, for which it tries to find spectra that contain peaks values close to those values, within a certian limit (<0.3 ppm in this case). The data which is u...

Created: 2010-03-13 | Last updated: 2010-03-19

Credits: Samuel Lampa

Get Kegg Pathway information (1)

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This workflow gets a series of information relating to a list of KEGG pathways supplied to it. It also removes any null values from a list of strings. Example input: path:mmu04010 path:mmu05014

Created: 2010-03-10 | Last updated: 2010-03-10

Credits: Paul Fisher

LipidMaps Query (1)

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This workflow retrieves database entries from LipidMaps for given exact mass and tolerance inputs.

Created: 2010-02-16

In-silico Fragmentation of Naringenin (2)

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Created: 2010-02-08

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

Autodock Vina (1)

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 This workflow requires MGLTools which contains the Vision workflow framework. MGLTools maybe downloaded from https://www.nbcr.net/pub/wiki/index.php?title=CADD_Pipeline. 

Created: 2010-02-04 | Last updated: 2010-02-09

Credits: Jrensp

Get Gene Ids for Human (1)

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This workflow gets a list of gene ids (number depending on Ret_Max_value variable) for Homo sapiens. The species may be changed according to that desired, by altering the term_value string constant

Created: 2010-02-04 | Last updated: 2010-02-04

Credits: Paul Fisher

Search TP53 Somatic Mutation catalogue by ... (1)

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This workflow takes the exon, the effect and the TP53 somatic mutation database as input and retrieves the full TP53 somatic mutation description(s) by first retrieving two different outputs and arranging them according to the boolean operators (�and�, �or� and �butnot�): - first output: a TP53 somatic mutation database unique IDs list associated with the input 'exon' (done via a call to the getP53MutationIdsByExon web service) - second output: a TP53 somatic mutation database u...

Created: 2010-01-15

Credits: Achille Zappa

Triplify namespace XREF list from GO, LSRN... (1)

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TAG: banff_manifesto, xref, bio2rdf, rdfTAG: banff_manifesto, xref, bio2rdf, rdf, mashup Triplify namespace XREF list from GO, LSRN, NCBI and UniProt [myexperiment:xref_namespace2rdf] TAG: banff_manifesto, xref, bio2rdf, rdf TAG: banff_manifesto, xref, bio2rdf, rdf

Created: 2009-12-01

Credits: Francois Belleau

Triplify UniProt database external referen... (2)

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Get UniProt external database list from http://www.ncbi.nlm.nih.gov/projects/collab/db_xref.html 

Created: 2009-12-01 | Last updated: 2009-12-01

Credits: Francois Belleau

Triplify NCBI databases external reference... (1)

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Get NCBI external database list from http://www.ncbi.nlm.nih.gov/projects/collab/db_xref.html

Created: 2009-12-01 | Last updated: 2009-12-01

Credits: Francois Belleau

Triplify UniProt text search results from ... (2)

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Search all UniProt databases using search URL service and merge results into a bmuri list and a ntriples string. 

Created: 2009-11-30 | Last updated: 2009-11-30

Credits: Francois Belleau

Triplify search results from KEGG bfind SO... (3)

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This workflow use KEGG's SOAP service provided to do a BFIND serch within one of the KEGG's official database. The results are returned in RDF ntriples format. 

Created: 2009-11-30 | Last updated: 2009-11-30

Credits: Francois Belleau

Triplify KEGG database list [myexperiments... (2)

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TAG: knowledgescope, kegg, bio2rdf, banff_manifesto, rdf

Created: 2009-11-28 | Last updated: 2009-11-30

Credits: Francois Belleau

Query DBPedia for all entries with an InChI (1)

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Created: 2009-11-20

Credits: Egon Willighagen

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

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

Get graphs (2)

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Thiw workflow simply returns all the Ondex graphs that are present on a given server (where the web service is)

Created: 2009-11-05

Credits: Paul Fisher

MY_Multi_Alignment_Phylo (1)

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This workflow performs a 'multiple' multiple sequence alignment and phylogenetic analysis.

Created: 2009-11-03

Credits: Achille Zappa

Kabsch Alignment of Small Molecules (1)

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Created: 2009-10-30

Credits: Egon Willighagen

Example 3 (1)

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Search in the Datenbank SWISS the Sequence 1220173

Created: 2009-10-20

Credits: Ruben

Download CAS numbers and save as SD file (1)

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Download molecules from a REST services using the CAS registry number, create 3D coordinates and save the results as a MDL SD file.

Created: 2009-10-15

Credits: Egon Willighagen

Extract RDF from HTML+RDFa (2)

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Small script for Bioclipse that extracts RDF from HTML+RDFa webpages.

Created: 2009-09-30 | Last updated: 2010-06-23

Credits: Egon Willighagen

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

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

EBI_dbfetch_fetchBatch (1)

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Sample workflow illustrating the use of EBI's WSDbfetch service with Triana.

Created: 2009-08-28

Credits: Hamish McWilliam

EBI_dbfetch_fetchData (1)

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Sample workflow illustrating the use of the EBI's WSDbfetch service in Triana.

Created: 2009-08-28 | Last updated: 2009-08-28

Credits: Hamish McWilliam

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

/me is having Bioclipse/XMPP/RDF fun.js (1)

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Created: 2009-08-21

Credits: Egon Willighagen

Retrieve details on genetic marker by UniS... (3)

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The workflow retrieves the marker's primers and the organism name - if available. The organism name may not be unique for a given marker. The primers should be. It would be nice if some good soul could investigate how to retrieve the various mappings from the site. The retrieval of the primers is thought to prepare for a manual mapping of the marker's chromosomal location.

Created: 2009-08-19

Credits: Steffen Möller

SubGraph Filter (2)

This workflow filters a given Ondex graph to return a new ondex sub-graph. The parameters that can be used with this service are as follows: graphId - the ID of the input Graph. outputGraphId - the ID of the output Graph. Optional parameter. If no output graph is specified filtered items will be removed from the input graph. ConceptID - The root concept to start at. Valid value range is 1 to 2147483647. FirstRelationType - RelationType limitation for depth 1 (Optional). FirstConceptClass - C...

Created: 2009-08-19

Credits: Paul Fisher

Genomic Filter (1)

This workflow filters a given Ondex graph according to a chromosomal region, or QTL region. The result is a new Ondex graph. The parameters that can be used with this service are as follows: graphId - the ID of the input Graph. outputGraphId - the ID of the output Graph (Optional). If no output graph is specified filtered items will be removed from the input graph. ContextID - The Concept ID of the Context (Chromosome). From - The start position on the chromosome, e.g. 100. To - The stop pos...

Created: 2009-08-19

Credits: Paul Fisher

CV Filter (1)

This workflow filters a given Ondex graph according to a controlled vocabulary specified by the user. The result is a new Ondex graph with only those concepts that passed the filter. The parameters that can be used with this service graphId - the ID of the input Graph. outputGraphId - the ID of the output Graph. Optional parameter. If no output graph is specified filtered items will be removed from the input graph. CV - A CV to include/exclude Concepts and Relations of (see Exclude param). R...

Created: 2009-08-19

Credits: Paul Fisher

Clean GO Filter (1)

This workflow filters an Ondex graph, by cleaning up any GO terms within the Graph (?). The result is a new Ondex graph. The parameters that can be used with this service are as follows: graphId - the ID of the input Graph. outputGraphId - the ID of the output Graph (Optional). If no output graph is specified filtered items will be removed from the input graph.

Created: 2009-08-19

Credits: Paul Fisher

KEGG Pasrer (1)

This workflow parses a KEGG species database into an Ondex Graph graphId - the ID of the Graph. inputDir - the plugin input directory Species - Use this parameter to specify the species to be loaded from the kegg database. Default value is all. ParseSequences - KEGG species code. Default value is false (boolean) ImportOrthologFillers - Import Ortholog Pathway Fillers. Default value is false (boolean)

Created: 2009-08-19

Credits: Paul Fisher

Rank Phenotype Terms (1)

This workflow counts the number of articles in the pubmed database in which each term occurs, and identifies the total number of articles in the entire PubMed database. It also identified the total number of articles within pubmed so that a term enrichment score may be calculated. The workflow also takes in a document containing abstracts that are related to a particular phenotype. Scientiifc terms are then extracted from this text and given a weighting according to the number of terms that ...

Created: 2009-08-10

Credits: Paul Fisher

Cosine vector space (1)

This workflow calculates the cosine vector space between two sets of corpora. The workflow then removes any null values from the output. The result is a cosine vector score between 0 and 1, showing the significance of any links between one concept (e.g. pathway) to another (e.g. phenotype). A score of 0 means there is no or an undetermined correlation between the two concepts. A score approaching 1 represents positive correlation.

Created: 2009-08-10 | Last updated: 2009-08-10

Credits: Paul Fisher

An example workflow with WSRF service (1)

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An example workflow with WSRF service The service used is http://sidgrid.ci.uchicago.edu:8100/wsrf/services/CounterService The service is included in Globus toolkit installation (ws-core). If the it is down you can host your own and modify the workflow definition file to point to your own. The workflow first creates a counter instance and adds the value 10 for two times to the same counter. Therefore the result should be 20.

Created: 2009-07-28

Credits: Wei Tan Stian Soiland-Reyes

BioQuali asynchronous workflow (1)

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BioQuali: Network Compatibility and products variation inference in a biological network. Help page: http://genoweb2.irisa.fr/claroline/claroline/course/index.php?cid=BIOQUALI Reference: Carito Guziolowski, Annabel Bourdé, Francois Moreews and Anne Siegel BioQuali Cytoscape plugin: analysing the global consistency of regulatory networks BMC Genomics 2009, 10:244 doi:10.1186/1471-2164-10-244 This web service is made available on GenOuest bioinformatics platform (Rennes, ...

Created: 2009-07-06 | Last updated: 2009-07-06

Credits: abretaud GenOUEST Platform

Pipelined list iteration (1)

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Perform multiple iterations of services in order to show pipelining

Created: 2009-07-03

Credits: Stian Soiland-Reyes Ian Dunlop

GBSeq test (1)

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This workflow retrieves nucleotide and protein sequences with the literature and references associated to them given a protein and a nucleotide id.

Created: 2009-07-03

Credits: Stian Soiland-Reyes

Attributions: GBSeq test

Tuiuiu asynchronous workflow (1)

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Tuiuiu removes from a sequence or from a set of sequences areas as large as possible that do not contain researched repeats. Tuiuiu is used as a preliminary step before applying a multiple local aligner tool. Modeling and algorithmic details are provided in the following paper. Please, cite this paper if you use Tuiuiu. P. Peterlongo, G. Sacomoto, A. Pereira do Lago, N. Pisanti, M.-F. Sagot Lossless filter for multiple repeats with bounded edit distance BMC Algorithms for Mole...

Created: 2009-06-29 | Last updated: 2009-06-29

Credits: http://osallou.myopenid.com/ GenOUEST Platform

getOntologyTerm (1)

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This service takes a MIRIAM compliant URI and looks up all the synonyms for that URI using ChEBI and other services. Service developed and maintained by Neil Swainston at the MCISB in Manchester.

Created: 2009-06-09 | Last updated: 2009-06-09

Credits: Duncan Hull

getSynonymsFromSBML (1)

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This service takes an SBML file (for example from the Biomodels database) and extracts synonyms for each of the SBML species in the file, using ChEBI. Service is written and maintained by Neil Swainston at the MCISB.

Created: 2009-06-09 | Last updated: 2009-06-09

Credits: Duncan Hull

Test SoapLab Service Availability (1)

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This workflow tests for all Taverna workflows stored at myExperiment wether theS oapLab services used still exists. For each SOAP/WSDL service it checks wether the SoapLab service can still be accessed. The output is among others a report of accessible SoapLab services inaccessible SoapLab services

Created: 2009-05-29 | Last updated: 2009-05-29

Credits: Wassinki

Automatic Protein-Ligand Docking (1)

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Nimrod harnesses grid-based high-performance computing resources to evaluate a n umber of protein-ligand interaction algorithms. Different computational chemistry approaches are combined with non-linear optimization algorithms. This work is explained in Abramson, D. A., Amoreira, C., Baldridge, K. K., Berstis, L., Kondrick, C., Peachey, T. C., 2006, "A flexible grid framework for automatic protein-ligand docking", Proceedings of the Second IEEE International Conference on e-Science...

Created: 2009-05-15 | Last updated: 2009-05-16

Credits: Jeffersontan

snpNeighbours (1)

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My first Taverna workflow:  the input is the SNP "rs25". The Web Services invoked finds its position on the human genome and find its neighbours at 100bp. The XML result is then saved to a local file. The web services used here are under developpement and might be turned off in a near future.

Created: 2009-05-14 | Last updated: 2009-05-14

Credits: PL

group difference pseudopotential (1)

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This is a Nimrod plan file for a parameter scan of a group difference pseudopotential (GDP). This is the initial step in "paremeterization of a capping atom for hybrid quantum mechanics-molecule mechanics (QM/MM) calculations." Based on paper by Sudholt, W., Baldridge, K., Abramson, D., Enticott, C. and Garic, S., “Application of Grid computing to parameter sweeps and optimizations in molecular modeling”, Future Generation Computer Systems, 21 (2005), 27-35. Also appeare...

Created: 2009-05-14 | Last updated: 2009-05-16

Taverna rendering of the PAN-STARRS workfl... (1)

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Example inputs: CSVRootPath = /Users/paolo/Documents/myGRID/OPM/PC3/SampleData/J062941 JobID:J062941  

Created: 2009-04-30

Credits: Paolo

Search InChI in ChemSpider (1)

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This workflows queries ChemSpider for compound information and compound images. Note that a Chemspider security token is needed in order to access some of the ChemSpider services (receive one by registering at ChemSpider). Possible search terms might be InChI codes, ChemSpider identifiers or names.

Created: 2009-03-30 | Last updated: 2009-03-30

Credits: Michael Gerlich

Retrieve Pathways and Compound information... (1)

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Given a KEGG compound identifier (e.g. cpd:C00905), this workflow queries KEGG DB for pathways and compound information for each of these compounds. As the KEGG pathway service tries to find pathways which contain all input compounds, the input list is split up to circumvent this behaviour and to search for only one compound in a pathway at a time. Compounds identified in pathways are marked as red in the resulting pathway image.

Created: 2009-03-30 | Last updated: 2009-03-30

Credits: Michael Gerlich

MiscanMod (1)

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Created: 2009-03-27 | Last updated: 2009-04-23

Credits: Robert Muetzelfeldt

Kegg_DrugID (1)

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 This workflow accepts looks up drug identifiers from KEGG given a pathway identifier. You can enter a pathway ID in the form path:map07026

Created: 2009-03-18 | Last updated: 2009-03-18

Credits: Rory

Get Graphs of Name (1)

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This workflow gets the Ondex graphs relating to a specified name

Created: 2009-02-27

Credits: Paul Fisher

Get Concepts (1)

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This workflow gets all the concepts in an Ondex graph, using a given graph id

Created: 2009-02-27

Credits: Paul Fisher

CDK Example (1)

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This workflow reads a library from an SD file (change the default value of Read_MDL_SD_File) and identifies those structures that conform to Lipinski's Rule of Five. It then performs a substructure query, represented as SMILES (change the default value on Parse_SMILES), on the structures that pass Lipinski, and creates PNG images of those structures that contain the substructure. The image results will be found in your Taverna Data folder.

Created: 2009-02-26

Credits: Paul Dobson

SH2 domain screen in homo (1)

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You can now Download this Workflow and import it into BioExtract Server at bioextract.org. This workflow retrieves a set of protein sequences containing SH2 domain in homo sapiens from NCBI GenBank Protein, then extracts the sequences of SH2 regions and performs a multiple alignment using EMMA and ClustalW. The alignment by EMMA is then plotted to PNG images, simultaneously creating a frequency matrix by prophecy. Finally scan a protein sequence queried with the frequency matrix using prophet.

Created: 2009-02-19 | Last updated: 2009-06-08

Credits: Youguruozhu

Bio2RDF: CPath search, rdfise and load dem... (1)

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Search for a list of genes into the Pathway Commons interaction database and load the fetched triples into a triplestore. INSERT IN GRAPH < http://localhost/sesame/mem_rdf_db> {     CONSTRUCT{ ?s, ?p, ?o . }     FROM < http://www.pathwaycommons.org/pc/webservice.do>     WHERE {         SELECT ?s         FROM <http://www.pathwaycommons.org/pc/webservice.do>  ...

Created: 2009-02-19 | Last updated: 2009-02-19

Credits: Francois Belleau

Bio2RDF: Sesame triplestore loader from tr... (2)

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INSERT IN GRAPH

Created: 2009-02-19 | Last updated: 2009-02-19

Credits: Francois Belleau

Bio2RDF: Rdfiser for Bind protein interact... (1)

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CONSTRUCT{ <bmuri>, ?p, ?o . } FROM <http://soap.bind.ca/wsdl/bind.wsdl> WHERE { <bmuri>, ?p, ?o . }

Created: 2009-02-19 | Last updated: 2009-02-19

Credits: Francois Belleau

Bio2rdf: Bind search, rdfise and load demo (1)

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INSERT IN GRAPH <http://localhost/sesame/mem_rdf_db> {     CONSTRUCT { ?s, ?p, ?o . }     FROM <http://soap.bind.ca/wsdl/bind.wsdl>     WHERE {         SELECT ?s         FROM <http://soap.bind.ca/wsdl/bind.wsdl>         WHERE {              ?s, ?p, ?o .        ...

Created: 2009-02-19 | Last updated: 2009-02-19

Credits: Francois Belleau

Load affymetrix experiments results into S... (1)

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The affymetrix data source is not public.

Created: 2009-02-17

Credits: Francois Belleau

Initialize triplestore with Murin's protoc... (1)

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This workflow initialize the Sesame triplestore with initial data.  The 5 rdfiser in JSP are needed, they are executed on localhost.

Created: 2009-02-17 | Last updated: 2009-02-17

Credits: Francois Belleau

Pubmed mashup demo in a Virtuoso triplestore (1)

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This workflow build a mashup in your local virtuoso server (available at http://localhost:8890/sparql) by downloading the needed pubmed documents from NCBI and by converting them into N3 format.  Once all documents loaded into the triplestore you can query them with SPARQL. For example try those queries : SELECT count(*) WHERE {?s ?p ?o} SELECT ?o, count(*) WHERE {?s <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> ?o} Dr Labrie's MeSH subject of interest : SELECT ?o, count...

Created: 2009-02-11

Credits: Francois Belleau

Rich Get Richer (1)

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This workflow is a replication of the analysis from an OSCon 2004 presentation by Megan Conklin, entitled "Do the Rich Get Richer?" to demonstrate scale-free distribution of FLOSS developers among projects. The workflow retrieves the current number of active developers (for the most recent calculation of said statistic) from the FLOSSmole database. It summarizes and plots the distribution of developers to projects, on both a straight and log-log scale. It also generates a flat list of the de...

Created: 2009-02-05

Credits: Andrea Wiggins