Camelia, the Perl 6 bug

IRC log for #cdk, 2010-11-23

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

All times shown according to UTC.

Time Nick Message
01:51 slyrus left #cdk
04:13 azeem joined #cdk
04:17 azeem_ left #cdk
04:27 slyrus_ joined #cdk
05:58 egonw joined #cdk
06:43 jbrefort joined #cdk
07:04 bag__ joined #cdk
07:42 sneumann__ joined #cdk
08:04 bag__ left #cdk
08:06 Gpox joined #cdk
08:59 s_wolf moin
08:59 zarah hello s_wolf, you fantastic person you
09:18 s_wolf Is there file format to save molecules where I can store some extra information on specific bonds?
09:20 s_wolf and cdk is able to read and write
09:25 jbrefort s_wolf, you shoud try with cml
09:26 s_wolf jbrefort, ok thanks!
09:36 egonw s_wolf: ping me if you have specific needs...
09:36 egonw s_wolf: look for the use of the @dict attribute
09:36 egonw you can register your own 'extension' to read such information into particular fields in the CDK data model
09:37 egonw s_wolf: read my Processing CML Conventions with Java paper
09:37 egonw http://www.citeulike.org/u​ser/egonw/article/1375509
09:37 s_wolf egonw: ok thank you!!
10:10 sneumann__ left #cdk
10:23 jbrefort left #cdk
11:09 alchimiste moin
11:09 zarah hi alchimiste
11:23 egonw hi alchimiste
11:37 sneumann__ joined #cdk
12:17 maclean joined #cdk
12:17 maclean hi
12:17 zarah privet maclean
12:20 egonw hi maclean
12:20 egonw maclean: got your message about fri
12:20 maclean ah, ok. sorry, should have email-replied really...
12:22 maclean Oh, and saw an interesting paper yesterday about chemical drawing:
12:22 maclean http://www.jcheminf.com/content/2/1/8
12:22 maclean by Alex M Clark, author of the program SketchEl.
12:23 egonw mmm... sounds familiar, those atomic edits :)
12:23 egonw nice write up indeed!
12:23 egonw 'create template' idea sounds good
12:23 maclean Yes, a lot like what PMR was talking about, a kind of 'language' for drawing.
12:24 egonw yeah, or like our JChemPaint scripting language :)
12:24 maclean He's the author of SketchEl, a drawing tool that has _very_ impressive template features.
12:24 maclean Like, you click on a particular  atom or bond of the template to set the attachment point.
12:26 maclean http://sourceforge.net/projects/sketchel/
12:56 maclean gtg
12:57 maclean left #cdk
13:21 jbrefort joined #cdk
15:21 mgerlich_ joined #cdk
15:24 mgerlich left #cdk
16:38 jbrefort left #cdk
17:26 egonw left #cdk
17:37 Gpox left #cdk
17:44 jbrefort joined #cdk
17:50 egonw joined #cdk
19:44 slyrus_ left #cdk
21:23 egonw left #cdk
22:08 jbrefort left #cdk
22:57 australian_male_ joined #cdk
22:57 australian_male_ left #cdk
23:21 bag__ joined #cdk
23:43 zarah left #cdk
23:55 bag__ left #cdk

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