1. Home
  2. Workflows

Workflows

Search filter terms
Filter by type
Filter by tag
chemistry
13
Filter by user
Filter by licence
Filter by group
Filter by wsdl
Results per page:
Sort by:
Showing 13 results. Use the filters on the left and the search box below to refine the results.
Tag: chemistry
Remove all filters
Bioclipse Scripting Language
Uploader
4506?size=60x60 Nl Egon Willighagen

Workflow Visualize the boiling point data from the ... (1)

Thumb
 Downloads the RDF data from a HTML page, extracts the boiling point data, calculates atom counts from SMILES representations, and opens the data in a matrix editor, ready to be visualized in a scatter plot.

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

Credits: User Egon Willighagen

Bioclipse Scripting Language
Uploader
4506?size=60x60 Nl Egon Willighagen

Workflow Calculate molecular mass for entries in a ... (1)

 Simple script to demonstrate how to iterate over entries in a MDL SD file and calculate some molecular property.

Created: 2010-03-08

Credits: User

Bioclipse Scripting Language
Uploader
4506?size=60x60 Nl Egon Willighagen

Workflow Convert a SMILES string into a connection ... (1)

 Bioclipse script that converts a SMILES string into a LaTeX table of the connection table of the molecule.

Created: 2009-12-16

Credits: User

Results per page:
Sort by:
Funded by: BioVeL, EPSRC, JISC, Microsoft

Affiliates: myGrid, Taverna, BioCatalogue
About | Privacy | Publications | Contact / Feedback | Mailing List
Icons: Silk icon set 1.3

Copyright © 2007 – 2018 The University of Manchester and University of Southampton