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Henry, Thanks for the response. > Steve Zara here has written a Java based PDB to CML converter on > > http://www.xml-cml.org/ > > where the Java source, and the CML DTD etc will be available > from midnight tonite > great that will be a good start. I'll keep a watch out for it. I think the DTD (5-15-99 v) is already up though, or is this a new one? > finally, Peter Murray-Rust wrote a batch of converters about 2 > years ago which are in need of updating. More details of those on > request > Yes I would really like to see some of those converters, or details about them. I have seen mention of converter tools somewhere in the faqs, Jumbo, or the new Part I: basic princ. document I just can't remember where. From what I could tell there is a forthcoming paper, that is going to talk about some of these converters and the DTD in detail? I also wanted to mention that the Part I: Basic Principles document is great, having read a lot of books and websites on xml lately, this gave me a really good outlook on how cml is tied with xml, write programs to use it, etc. Looking forward to seeing parts 2-? Any idea on when your paper in Journal of Chem. Info and Comp. Sci. will be released? We have been spending quite a bit of time here getting "up to speed" with xml/cml and for me using Java to develop applications for that purpose. I am interested in writing converters for DMOL3 (car), Gaussian 94/98 (not sure - fchk or output), and the CAChe (molstruct) file format. I would prefer to write them in Java. I think that cml will be the "glue" data format for the overload of current structures and data that we currently have. Have you seen the JMol project? http://www.openscience.org/jmol , this is sort of a java replacement for xmol. It is a very nice program and coming along very nicely. They have incorporated cml very well. Ofcourse you probably knew all of that already. thanks for the info, -charlie. ---------------------------- Charles Fulton Information Technician Union Carbide Corporation S. Charleston, WV p:(304-747-3175) xml-dev: A list for W3C XML Developers. To post, mailto:xml-dev@i... Archived as: http://www.lists.ic.ac.uk/hypermail/xml-dev/ and on CD-ROM/ISBN 981-02-3594-1 To (un)subscribe, mailto:majordomo@i... the following message; (un)subscribe xml-dev To subscribe to the digests, mailto:majordomo@i... the following message; subscribe xml-dev-digest List coordinator, Henry Rzepa (mailto:rzepa@i...)
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