Workflows

Search filter terms
Filter by type
Filter by tag
Filter by user
Filter by licence
Results per page:
Sort by:
Showing 3 results. Use the filters on the left and the search box below to refine the results.
Type: Bioclipse Scripting Language Tag: gpml2013a

Workflow Find Labels in WikiPathways that are IUPAC... (1)

Thumb
This scripts parses a directory with WikiPathways GPML files. For each "label" it checks if the label contains an IUPAC name (using OPSIN), calculated the InChIKey (using JNI-InChI/CDK), and looks up a ChemSpider identifiers (using the ChemSpider web service).

Created: 2013-08-20

Credits: User Egon Willighagen

Workflow Extracts metabolites from GPML pathway fil... (1)

Thumb
Extracts metabolites from a collection of GPML pathway files downloaded from WikiPathways, and opens structures with IUPAC names in a molecules table, using the CDK and OPSIN.

Created: 2013-08-16

Credits: User Egon Willighagen

Workflow Extracts metabolites from a GPML pathway d... (1)

Thumb
This Groovy scripts starts with a WikiPathways identifier, downloads the GPML, and uses the Groovy XmlParser to extract metabolites for which it reports the label, and if available, database and identifier.

Created: 2013-08-11 | Last updated: 2013-08-11

Credits: User Egon Willighagen

Results per page:
Sort by: