Workflows

smiles-identity-idlist (2)

• Download

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)

• Download

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)

• Download

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)

• Download

  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)

• Download

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)

• Download

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)

• Download

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)

• Download

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)

• Download

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)

• Download

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)

• Download

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)

• Download

ICS use case 5

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

Credits: Anja Le Blanc

Retrieve a protein from the GPCRDB (1)

• Download

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)

• Download

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)

• Download

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)

• Download

SNP annotation

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

Credits: Mkh

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

• Download

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)

• Download

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)

• Download

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)

• Download

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)

• Download

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)

• Download

 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)

• Download

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)

• Download

used for testing provenance as well as experimenting with Scufl2 specfications

Created: 2009-09-11

Credits: Paolo

EBI_InterProScan_T2 (1)

• Download

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