Camelia, the Perl 6 bug

IRC log for #cdk, 2009-10-15

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All times shown according to UTC.

Time Nick Message
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07:11 sneumann hi egonw
07:11 sneumann I have placed on of those binary blobs at
07:11 sneumann http://msbi.ipb-halle.de/~sneumann/naringenin.pkb
07:11 zarah sneumann's link is also http://tinyurl.com/ygrvkav
07:12 sneumann i used a hexdump to compare it against the same molecule
07:12 sneumann saved via ACD ChemSketch, and found no similarities
07:12 sneumann So unless your contact has an idea whether there is some tool or function
07:13 sneumann to convert *.pkb into *.cml or *.mol, I'll give up.
07:13 egonw I'll ping him again...
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08:59 CIA-29 cdk: shk3 * r14985 /jchempaint/trunk/src/test/org/openscience​/jchempaint/JCPEditorAppletMenuTest.java: the cut tests checks for single atom container
09:02 sneumann joined #cdk
10:02 CIA-29 cdk: mark_rynbeek cdk-1.2.x * rd1397fe / (2 files in 2 dirs): Patch for bug 2843445. Aims to fix generation of NaN coordinates by SDG - http://bit.ly/RPZFz
12:10 miguelrojasch joined #cdk
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12:49 CIA-29 cdk: shk3 * r14986 /jchempaint/trunk/src/main/​org/openscience/jchempaint/ (6 files in 3 dirs): bond and element button are now highlighted as active if necessary, should improve user experience a lot.
13:52 CIA-29 cdk: shk3 * r14987 /jchempaint/trunk/src/main/​org/openscience/jchempaint/ (2 files in 2 dirs): paste smiles can now handle disconnected fragments
14:31 CIA-29 cdk: Stefan Kuhn master * r56adf23 / doc/refs/cheminf.bibx : Added reference to IUPAC documentation about stereochemistry visualization. - http://bit.ly/22J3RS
14:50 CIA-29 cdk: mark_rynbeek * r14988 /jchempaint/trunk/src/main/org/openscienc​e/jchempaint/action/CopyPasteAction.java: Put flipAndScaleMolecule on right line
14:50 slyrus_ joined #cdk
14:58 egonw slyrus_: question...
14:58 egonw \\ and \/ have a designated meaning in SMILES ?
14:58 egonw one is Z and other is E ?
15:03 CIA-29 cdk: mark_rynbeek * r14989 /jchempaint/trunk/META-INF/applet-core.files:
15:03 CIA-29 cdk: mark_rynbeek * r14990 /jchempaint/trunk/src/main/​org/openscience/jchempaint/ (action/CleanupAction.java dialog/WaitDialog.java): dialog: please wait while jcp busy processing
16:55 slyrus_ joined #cdk
16:56 slyrus_ egonw: sorry i missed your question earlier
16:56 slyrus_ it's not so much z and e, as "up" or "down" across the double bond
16:57 egonw yes, isn't it...
16:57 egonw yeah, that's what i thought too... (and I was too lazy to look it up)
16:57 slyrus_ so, you have to have the specification for substituents on both sides of the double bond, or it's meaningless...
16:58 slyrus_ C(=C/Cl)\Cl would be E-dichloroethylene, but C(=CCl)\Cl would be the same as xC(=CCl)Cl
16:58 slyrus_ (ignore that x)
16:58 egonw ok, bbl
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