On Sunday 20 March 2005 15:25, Peter Murray-Rust wrote: > At 19:38 19/03/2005, Egon Willighagen wrote: > >remember the discussion around March about being able to download > > chemistry from the internet with a syntax like: > > > >dadml://any/pdbid?1CRN > > > >or > > > >dadml://any/CAS-NUMBER?50-00-0 > > > >(or whatever other index) ? > > This looks very good. > > It raises questions with addressing and discovery. An ID is just that - an > ISBN doesn't tell you which bookshop to buy it from and a CAS number > doesn't tell you where to look (or indeed whether the site is allowed to > hold the CAS numbers). the PDB can almost be expected to be an address, as > perhaps could be NCI, PubChem, or at present WWM and NMRShiftDB. > > Can you indicate how the system identifies the resource?
The <any> points to 'any' known super database to the plugin. There are a few of these available: http://jmol.sourceforge.net/super.xml http://www.woc.science.ru.nl/super.xml http://cdk.sf.net/super.xml Each of these super databases point to actual database, e.g. the NCI database, ChemFinder, NIST, ChemExper and the NMRShiftDB. Or actually, an XML file that details how information from those databases can be accessed using regular URLs. For example, see: http://www.woc.science.ru.nl/interfaces/NMRSHIFTDB/database.xml Principally, it will be possible to explicitely point to one super.xml, for example by using: dadml://www.woc.science.ru.nl/CAS-NUMBER?50-00-0 This is not available from the plugin in Jmol yet, but will be released as part of the next plugin version. Egon -- [EMAIL PROTECTED] PhD student on Molecular Representation in Chemometrics Radboud University Nijmegen http://www.cac.science.ru.nl/people/egonw/ GPG: 1024D/D6336BA6 ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_id=6595&alloc_id=14396&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
