Data Representation

This page provides links to UML and XML schema data models and examples of markup.

Markup examples

Entities

Molecule
Array
Matrix
Scalar
Grid
Basis set

Associations

Vibration
Basis set assignment
Molecular orbital

Links

Xlink
RDF
XInclude

Information about the Chemical Markup Language can be found here
Information about the VTK XML file format can be found here

Other data models of interest include:

-- PhilipCouch - 08 Nov 2004

Topic attachments
I Attachment Action Size Date Who Comment
xmlxml example.xml manage 58.6 K 10 Oct 2006 - 14:56 PhilipCouch XML markup for computational chemistry
xmlxml example2.xml manage 58.6 K 10 Oct 2006 - 14:52 PhilipCouch XML markup for computational chemistry
Topic revision: r16 - 10 Oct 2006 - 14:57:44 - PhilipCouch
 
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