Camelia, the Perl 6 bug

IRC log for #cdk, 2010-10-21

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All times shown according to UTC.

Time Nick Message
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08:12 egonw moin
08:16 sneumann hi egonw
08:17 sneumann what would you consider the best way to talk to chemspider people about a closer integration between MetFrag and ChemSpider ? info@chemspider ?
08:18 egonw yeah, that should do fine... make sure to put it in context, or even blog instead :)
08:18 egonw you know about their API, right?
08:18 egonw but they are keen on metabolomics anyhow
08:18 sneumann I think s_wolf is using their SOAP interface, and I've seen the web API
08:19 egonw yeah, SOAP is what they like indeed...
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13:27 CIA-49 cdk: Rajarshi Guha cdk-1.4.x * r040fa95 / (3 files in 3 dirs):
13:27 CIA-49 cdk: Updated string generation for molecular formulae that address bug 3071473
13:27 CIA-49 cdk: Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net> - http://bit.ly/bJXxUz
13:46 CIA-49 cdk: Egon Willighagen cdk-1.4.x * rf6b13dc / src/test/org/openscience/cdk/atom‚Äčtype/CDKAtomTypeMatcherTest.java :
13:46 CIA-49 cdk: Added a unit test for the C=[N+]=[N-] functional group
13:46 CIA-49 cdk: Signed-off-by: Rajarshi Guha <rajarshi.guha@gmail.com> - http://bit.ly/bTHeEH
13:46 CIA-49 cdk: Egon Willighagen cdk-1.4.x * r58a2e0e / (3 files in 3 dirs):
13:46 CIA-49 cdk: Added missing atom type: positively charged P with three neighbors, of which one double bonded
13:46 CIA-49 cdk: Signed-off-by: Rajarshi Guha <rajarshi.guha@gmail.com> - http://bit.ly/9bXwKe
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16:00 CIA-49 cdk: Egon Willighagen cdk-1.4.x * r8df6674 / (7 files in 5 dirs):
16:00 CIA-49 cdk: Added acidic and basic group count descriptors (implements #3056330)
16:00 CIA-49 cdk: Signed-off-by: Rajarshi Guha <rajarshi.guha@gmail.com> - http://bit.ly/c8AEPi
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23:05 CIA-49 cdk: Egon Willighagen cdk-1.4.x * r4ccb251 / (3 files in 3 dirs):
23:05 CIA-49 cdk: Added missing sulphur atom type as found in thiosulphonate (fixes #3080848)
23:05 CIA-49 cdk: Signed-off-by: Rajarshi Guha <rajarshi.guha@gmail.com> - http://bit.ly/aAB1Da
23:05 CIA-49 cdk: Egon Willighagen cdk-1.4.x * r9076d47 / (2 files in 2 dirs):
23:05 CIA-49 cdk: Use a builder more efficiently
23:05 CIA-49 cdk: Signed-off-by: Rajarshi Guha <rajarshi.guha@gmail.com> - http://bit.ly/cLGO6m
23:46 CIA-49 cdk: Rajarshi Guha cdk-1.4.x * rc755df3 / src/main/org/openscience/cdk/dic‚Äčt/data/descriptor-algorithms.owl : Added missing classificatins to some descriptors - http://bit.ly/cjFEMw

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