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