[XML-DEV Mailing List Archive Home] [By Thread] [By Date] [Recent Entries] [Reply To This Message] Re: filters x --> cml
>I'm currently trying to write some Java based programs to get some chemistry >structure file formats converted into cml. I was wondering if other had >already done the same. Specifically any guassian 9x --> cml examples would >be great to see. > >[Sorry if this is the wrong list, but cml is very related to xml] 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 I believe converters written in Perl exist at the VSMS site at http://www.vsms.nottingham.ac.uk/biodom/ we would greatly welcome any initiative to produce a G94/98 converter. Also on the cards is a MOPAC2000 converter (a little way off yet). 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 Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; mailto:rzepa@i...; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ 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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