Camelia, the Perl 6 bug

IRC log for #bioclipse, 2009-10-31

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All times shown according to UTC.

Time Nick Message
05:34 egonw joined #bioclipse
05:53 CIA-54 bioclipse.cheminformatics: Egon Willighagen 2.2.x * r49245ff / plugins/net.bioclipse.cdk.business/src/ne​t/bioclipse/cdk/business/ICDKManager.java : Better description: mentiones MCSS now - http://bit.ly/11rYUo
05:53 CIA-54 bioclipse.cheminformatics: Egon Willighagen 2.2.x * ra59a5b3 / plugins/net.bioclipse.cdk.business/src/ne​t/bioclipse/cdk/business/CDKManager.java : Store the Kabsch alignment RMSD for future reference - http://bit.ly/2lOnJP
06:40 CIA-54 bioclipse.cheminformatics: Egon Willighagen 2.2.x * r478f531 / plugins/net.bioclipse.cdk.business/src/ne​t/bioclipse/cdk/business/CDKManager.java : Factored out a method that allows aligning against any arbitrary molecule - http://bit.ly/3gh78V
06:40 CIA-54 bioclipse.cheminformatics: Egon Willighagen 2.2.x * rcce4881 / plugins/net.bioclipse.cdk.business/src/ne​t/bioclipse/cdk/business/CDKManager.java : Throw an exception when the MCSS has less than 3 atoms, the minimum number of atoms to define a plane - http://bit.ly/4ty89m
06:40 CIA-54 bioclipse.cheminformatics: Egon Willighagen 2.2.x * rfc5914d / plugins/net.bioclipse.cdk.business/src/ne​t/bioclipse/cdk/business/ICDKManager.java : Added rmsd() method to API - http://bit.ly/4nltVu
06:40 CIA-54 bioclipse.cheminformatics: Egon Willighagen 2.2.x * re7d6226 / plugins/net.bioclipse.cdk.business/src/ne​t/bioclipse/cdk/business/CDKManager.java : Implemented calculateRMSD() - http://bit.ly/2LvbiL
06:53 CIA-54 bioclipse.cheminformatics: Egon Willighagen 2.2.x * r9d8d552 / plugins/net.bioclipse.cdk.business/src/ne​t/bioclipse/cdk/business/CDKManager.java : Added IProgressMonitor support - http://bit.ly/2Ys1pP
12:27 samuell joined #bioclipse
14:31 egonw joined #bioclipse
15:04 * samuell is thinking to upgrade to karmic now
15:07 * samuell started upgrading
15:36 egonw ah, cool
15:36 egonw I'm still not attempting...
15:36 * egonw is writing RDF (de)serialization code for the CDK data model
16:01 samuell Ah ok
16:06 egonw a basic molecule can now be roundtripped via RDF
16:07 samuell Ok, nice.
16:08 samuell Is there a standardized way of representing molecules in RDF?
16:09 egonw there is now :)
16:09 egonw seriously... there is ChemAxiom
16:09 samuell Ok, that is what I was starting to think :)
16:09 samuell ...that CDK will influence the field a bit.
16:09 egonw but that does not have all the detail, but is rather ontologically clean
16:09 egonw perhaps...
16:09 egonw the CDK model is not so good... (in retrospect)
16:10 egonw but now formalized in RDF, we can more easily clean it up, and see how it is compatible or not with other models
16:10 samuell Ok
16:15 egonw ok, got to go now
16:15 egonw visitors
16:15 egonw bye!
16:15 egonw have a nice halloween!
16:15 samuell Same!
16:15 egonw see http://egonw.posterous.com/ :)
16:15 samuell :)
16:16 samuell He's coool
16:21 samuell left #bioclipse
19:14 egonw joined #bioclipse
20:00 samuell joined #bioclipse
20:54 sneumann__ joined #bioclipse

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