Note
 This document has been recovered and transcribed from the internet archive. It was originally written by Toby White and other members of the eMinerals and Materials Grid teams. Not all links work and not all material has been located but hopefully this document will be useful to people intrested in CML for computational atomic scale simulation. Further material can be found here.

CMLComp is designed to address the issue of information exchange in the area of computational atomistics, or molecular-scale simulation.

You might be here for one of the following reasons …

  • To visualize a CMLComp document, go to ccViz.

  • To get the latest version of the CMLComp specification, go to the git archive.

  • To explore CMLComp further, get documentation and software, go to the CMLComp wiki.

About CMLComp

CML is the Chemical Markup Language.

CMLComp is a dialect of CML - a subset, or profile, with more strongly defined syntax and semantics.

CMLComp consists of microformats, which encode commonly-used data idioms, and a document structure which provides human-accessible information.

For more documentation, please browse the CMLComp wiki.