The CML (Chemical Markup Language) DTD has now been upgraded to conform to the W3C [1] specification for Schemas. All specifications and software are OpenSource/OpenData. The basic chemical concepts of CML are not significantly changed and Version 1 will continue to be usable. There are several advantages to the use of Schemas: 1. he syntax of CML documents is considerably simpler and less verbose (e.g. the "builtin" attribute is no longer necessary) 2. there is much stronger datatyping; elements can be validated against the Periodic tables and floats, integers etc are fully supported 3. they support XML namespaces so designs can be modular 4. modern XML software concentrates on Schemas rather than DTDs This has allowed us to create a modular design with the following components: - CMLCore which is reused by other modules - STMML [2] which supports numeric data, scalars, arrays, matrices, dictionaries, metadata and experimental procedures. - CML also interoperates with major W3C languages such as XHTML, MathML and SVG [3]. With these complete chemical documents (such as publications) can be created, queried, processed and rendered. Several other modules in this family are under active development - Computational Chemistry Markup Language (CCML) whose first phase is being presented to a CLRC [4] meeting of early adopters from UK eScience projects this week. CCML will be run as an Open community activity to develop XML support for all aspects of Computational chemistry. We shall announce details of the mailing list very shortly. - CMLReaction. CML already supports reactions and this functionality is being refactored and expanded into a separate module. - CMLQuery. This is being built on the emerging XML Query language CML modularity relies heavily on the creation of dictionaries and this is being handled as part of the IUPAC XML Dictionary project. The CML and STMML Schemas can be found as XML, XHTML and PDF[*] at http://www.xml-cml.org and will also be posted in the repository at http://cml.sourceforge.net shortly. The distribution contains many examples of CML and STMML which have been validated against the Schema with 3 independent toolkits [5]. This project is part of the molecular family of OpenSource projects such as OpenBabel, BKChem, and JUMBO, all of which now have CML2 functionality. Peter Murray-Rust Henry Rzepa [1] World Wide Web Consortium [2] Scientific Technical Medical Markup Language [3] Scalable Vector Graphics [4] Central Laboratory of the Research Councils (UK) [*] all specifications are autogenerated by XML technology.from the original schema document. [5] Apache/Xerces, MSIE MSXML4, IBM Schema validator. -- Henry Rzepa. +44 (0870) 132 3747 (eFax) +44 0778 6268 220 (Mobile) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College, London, SW7 2AY, UK. chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)