myExperiment - Workflows

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Type: Bioclipse Scripting Language

Tag: chemistry

Licence: by-sa

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Bioclipse Scripting Language

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Egon Willighagen

Visualize Molecules from DBPedia as Molecu... (3)

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Downloads entries from DBPedia which have a SMILES and creates a molecule table with 2D structures of the hits found with SPARQL.

Created: 2010-03-14

Credits: Egon Willighagen

Bioclipse Scripting Language

Uploader

Egon Willighagen

Kabsch Alignment of Small Molecules (1)

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Aligns molecules using the Kabsch alignment and visualizes the results in the Jmol viewer.

Created: 2009-10-30

Credits: Egon Willighagen

Bioclipse Scripting Language

Uploader

Egon Willighagen

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

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Bioclipse script that combines RDF (DBPedia), XMPP cloud services, and local CDK functionality to gain some information on Farnesol in Bioclipse.

Created: 2009-08-21

Credits: Egon Willighagen

Bioclipse Scripting Language

Uploader

Egon Willighagen

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

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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: Egon Willighagen

Bioclipse Scripting Language

Uploader

Egon Willighagen

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

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

Created: 2010-03-08

Credits:

Bioclipse Scripting Language

Uploader

Egon Willighagen

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

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

Created: 2009-12-16

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