On Friday 11 August 2006 17:18, Ola Spjuth wrote: > The Bioclipse team is proud to announce the release of Bioclipse 1.0, > relying on CDK for chemoinformatics.
Here are some more details on this. The CDK ChemFile is used as data model for molecular structures in Bioclipse. This means that *all* CDK functionality is available, as well as 3D rendering via Jmol. For example, JChemPaint is used for 2D rendering and editing. Most functionality is silently included right now, meaning that we have only little functionality hooked in; the 1,0 release is a sort of proof-of-principle release, where resource handling is dealt with. In upcoming releases, the CDK team will one-by-one add CDK functionality to CDK, by adding popup menu's, and other ways of making functionality available. Things that will happen reasonably soon is calculation, that is, it's high on my TODO list, make available CDK's: - atomic/bond/molecular descriptor calculation - 3D model, and 2D diagram generation But if you would like to see your favorite CDK feature working in Bioclipse, please *do* file a feature request on the Bioclipse SourceForge tracker at: https://sourceforge.net/tracker/?group_id=150681&atid=778612 Egon -- [EMAIL PROTECTED] Cologne University Bioinformatics Center (CUBIC) Blog: http://chem-bla-ics.blogspot.com/ GPG: 1024D/D6336BA6 ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
