At 19:38 19/03/2005, Egon Willighagen wrote:
Hi all,
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?
Back then, I implemented it for Jmol 10 preseries in the scripting language, but it had to be commented out because it would conflict with the applet requirements...
I've now finally had time to finish a genuine CDK plugin that does the job, see attached screenshot. I'm going to add it as default plugin for both JChemPaint and Jmol 10, it works with both, and thus will be part of the next release. (Miguel, since it's a plugin, it won't conflict with the applet code).
Egon
PS. sorry for the crossposts...
(some removed)
P.
Peter Murray-Rust Unilever Centre for Molecular Informatics Chemistry Department, Cambridge University Lensfield Road, CAMBRIDGE, CB2 1EW, UK Tel: +44-1223-763069 Fax: +44 1223 763076
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