Camelia, the Perl 6 bug

IRC log for #cdk, 2010-01-05

| Channels | #cdk index | Today | | Search | Google Search | Plain-Text | summary

All times shown according to UTC.

Time Nick Message
01:16 CIA-74 joined #cdk
01:16 CIA-54 joined #cdk
01:18 jpansane1 joined #cdk
07:15 slyrus_ joined #cdk
07:27 sneumann joined #cdk
07:34 jbrefort joined #cdk
07:49 egonw joined #cdk
08:06 s9asad joined #cdk
08:09 Gpox joined #cdk
08:27 sneumann joined #cdk
08:55 carsten joined #cdk
09:04 s9asad joined #cdk
09:30 miguelrojasch joined #cdk
09:58 zarah joined #cdk
10:06 bag joined #cdk
10:40 bag joined #cdk
10:40 de__maas joined #cdk
10:42 de__maas left #cdk
10:50 s9asad joined #cdk
12:53 jpansane1 moin
12:53 zarah oh hai jpansane1
12:53 jpansane1 Happy New Year !!!
12:55 egonw hi jpansanel, same to you!
12:55 jpansanel thx egonw
12:56 jpansanel egonw : I've read your mail about cdk translation
12:56 jpansanel did you received any answer ?
12:57 egonw no, not yet
12:59 s9asad joined #cdk
13:17 jbrefort joined #cdk
13:47 sneumann Hi there
13:48 sneumann I could not see any way to use a SMILES in a CML molecule
13:48 sneumann is that correct ?
13:48 sneumann A SMILES would be a much more compact form to represent the structure
13:50 egonw indeed...
13:51 sneumann But loose a way to ID the atoms and bonds explicitely ...
13:51 egonw <scalar convention="http://opensmiles.org/">CCC</scalar> ?
13:51 egonw and many other things :)
13:51 sneumann but BC or most other software wouldn't be able to use that
13:51 egonw or perhaps <label> instead
13:51 egonw not at this moment
13:51 sneumann which is the reason to look at CML for mzAnnotate in first place ...
13:51 egonw indeed :)
13:53 sneumann OTOH using the <molecule> stuff wihtout CDK/Jumbo is quite a pain
13:53 sneumann if you have to rebuild your molecule from <atom> and <bond>
13:53 sneumann manually, if you only want to creat a nice image.
13:53 egonw how so? A bit of XSLT can do wonders
14:26 sneumann joined #cdk
15:37 CIA-54 cdk: shk3 * r15262 /jchempaint/branches/3_0/ (10 files in 6 dirs): the copyright info from cdk now gets added to jcp help, application jar and applet zip file.
15:43 CIA-54 cdk: shk3 * r15263 /jchempaint/branches/3_0/src/main/org/opens​cience/jchempaint/resources/userhelp_jcp/: lib-license.txt needs to be in svn ignore
16:06 CIA-54 cdk: shk3 * r15264 /jchempaint/branches/3_0/src/u​til/ExtractCoprightInfo.java: cdk info included in lib-license
16:42 egonw joined #cdk
17:02 CIA-54 cdk: shk3 * r15265 /jchempaint/branches/3_0/src/u​til/ExtractCoprightInfo.java: the licence extraction handles multiple sections
17:13 sneumann joined #cdk
17:44 slyrus_ joined #cdk
17:55 jbrefort joined #cdk
18:27 s9asad joined #cdk
19:24 sneumann_ joined #cdk
20:50 s9asad joined #cdk
21:00 egonw joined #cdk
21:45 s9asad joined #cdk
22:15 CIA-70 joined #cdk

| Channels | #cdk index | Today | | Search | Google Search | Plain-Text | summary