| Time |
Nick |
Message |
| 04:57 |
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| 04:57 |
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| 05:56 |
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| 06:40 |
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| 07:27 |
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| 07:35 |
jpansanel |
moin |
| 08:06 |
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| 08:26 |
CIA-1 |
cdk: sushil_ronghe * r8791 /trunk/cdk/src/org/openscience/cdk/smiles/smarts/SMARTSParser.jj: Code for v,mass atom two digits mass atom and exception handeling |
| 08:30 |
thomas_ku |
moin |
| 08:36 |
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| 09:15 |
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olas joined #cdk |
| 09:31 |
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olas left #cdk |
| 09:39 |
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| 10:11 |
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| 10:53 |
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| 10:54 |
egonw |
greetings from the KDE Research meeting |
| 11:23 |
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dleidert joined #cdk |
| 11:31 |
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olas joined #cdk |
| 12:16 |
CIA-1 |
bioclipse: biocoder * r3735 /trunk/playground/plugins/net.bioclipse.empty/ (8 files in 5 dirs): Chart plugin for drawing histograms, line plots, scatter plots, etc. |
| 12:19 |
CIA-1 |
bioclipse: biocoder * r3736 /trunk/playground/plugins/net.bioclipse.chart/: |
| 12:32 |
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| 13:14 |
CIA-1 |
jmol: nicove * r8171 /trunk/Jmol-FAH/projects/p3736.xyz.gz: |
| 13:20 |
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| 13:34 |
CIA-1 |
bioclipse: jonalv * r3737 /trunk/playground/plugins/net.bioclipse.empty/ (8 files in 5 dirs): Attempt to revert faulty commit to the empty plugin. |
| 13:34 |
CIA-1 |
jmol: hansonr * r8172 /trunk/Jmol/src/org/jmol/viewer/Jmol.properties: 11.3.14 # bug fix: HDO not recognized as "water" |
| 13:35 |
CIA-1 |
jmol: hansonr * r8173 /branches/v11_2/Jmol/src/org/jmol/viewer/ (Jmol.properties JmolConstants.java): |
| 13:35 |
CIA-1 |
jmol: 11.2.11 |
| 13:35 |
CIA-1 |
jmol: # bug fix: HDO not recognized as "water" |
| 13:48 |
CIA-1 |
bioclipse: biocoder * r3738 /trunk/playground/plugins/net.bioclipse.chart/src/net/bioclipse/action/contribution/ (. MatrixChartingActionDelegate.java): added an ActionDelegate for handling context menus |
| 14:21 |
CIA-1 |
jmol: hansonr * r8174 /trunk/Jmol/src/org/jmol/viewer/ (Eval.java Jmol.properties): |
| 14:21 |
CIA-1 |
jmol: 11.3.14 |
| 14:21 |
CIA-1 |
jmol: # new feature: {r,g,b} can be used in place of [r,g,b] for indicating color, |
| 14:21 |
CIA-1 |
jmol: # allowing programmatic color definition: |
| 14:21 |
CIA-1 |
jmol: # |
| 14:21 |
CIA-1 |
jmol: # r = 255; g = 255; b = 0; |
| 14:21 |
CIA-1 |
jmol: # background {@r,@g,@b} |
| 14:49 |
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olas left #cdk |
| 14:55 |
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carsten_ joined #cdk |
| 16:02 |
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dleidert joined #cdk |
| 16:04 |
dleidert |
hi, can anybody tell em a free/open source software to compute 1H-NMR spectra? |
| 16:10 |
jbrefort |
xdrawchem? |
| 16:15 |
dleidert |
The computed shifts are wrong. |
| 16:15 |
jbrefort |
not surprising |
| 16:16 |
dleidert |
why? |
| 16:16 |
jbrefort |
because it is notso easy to calculate 1H-NMR shifts (13-C are easier) |
| 16:18 |
jbrefort |
I think there is a library available, but I can't remember 1. where it can be found and 2. the license |
| 16:57 |
CIA-1 |
jmol: hansonr * r8175 /trunk/Jmol/src/org/jmol/ (6 files in 2 dirs): 11.3.14 # bug fix: rotateSelected MOLECULAR not around {0 0 0} |
| 18:44 |
CIA-1 |
bioclipse: shk3 * r3739 /trunk/plugins/net.bioclipse.cdk.jchempaint/ (12 files in 5 dirs): working graphics export |
| 21:16 |
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| 21:37 |
CIA-1 |
bioclipse: shk3 * r3740 /trunk/plugins/net.bioclipse.cdk.jchempaint/src/org/openscience/cdk/applications/jchempaint/MenuBarMaker.java: removed system.out |
| 21:45 |
CIA-1 |
jmol: hansonr * r8176 /trunk/Jmol/src/org/ (4 files in 2 dirs): |
| 21:45 |
CIA-1 |
jmol: 11.3.14 |
| 21:45 |
CIA-1 |
jmol: # bug fix: -g ignored on -n option, even if -w is present |
| 21:45 |
CIA-1 |
jmol: # new feature: APPLICATION -q (quality) option |
| 21:45 |
CIA-1 |
jmol: # adjustment: setting JPG default quality to 75, not 100 |
| 21:47 |
CIA-1 |
jmol: hansonr * r8177 /branches/v11_2/Jmol/src/org/jmol/ (6 files in 2 dirs): |
| 21:47 |
CIA-1 |
jmol: 11.2.11 |
| 21:47 |
CIA-1 |
jmol: # bug fix: rotateSelected MOLECULAR not around {0 0 0} |
| 22:08 |
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edrin joined #cdk |
| 22:22 |
shk3 |
hi edrin |
| 22:23 |
edrin |
hi shk3 |
| 22:24 |
shk3 |
hacking in the night? |
| 22:24 |
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| 22:28 |
CIA-1 |
jmol: hansonr * r8178 /branches/v11_2/Jmol/src/org/ (4 files in 2 dirs): |
| 22:28 |
CIA-1 |
jmol: 11.2.11 # bug fix: -g ignored on -n option, even if -w is present |
| 22:28 |
CIA-1 |
jmol: # new feature: APPLICATION -q (quality) option |
| 22:28 |
CIA-1 |
jmol: # adjustment: setting JPG default quality to 75, not 100 |
| 22:32 |
edrin |
shk3: no coding right now |
| 22:32 |
shk3 |
i stopped as well |
| 22:32 |
edrin |
shk3: do you have experiences with Gen/ORF prediction and promoters? |
| 22:32 |
shk3 |
no |
| 22:33 |
shk3 |
some people at cubic did orf prediction |
| 22:33 |
shk3 |
but I was never into it |
| 22:33 |
shk3 |
sorry |
| 22:33 |
edrin |
ok |
| 22:33 |
edrin |
ok |
| 22:34 |
shk3 |
gute nacht |
| 22:34 |
edrin |
I'm trying to express a fusion protein but I did not get any fluorescenze... |
| 22:34 |
edrin |
gute nacht |
| 22:34 |
shk3 |
sounds like it's also not always easy in the lab |
| 22:35 |
edrin |
it's never |
| 22:35 |
shk3 |
yes :-( |
| 22:35 |
edrin |
the advantage of programming is; you know it will work |
| 22:35 |
shk3 |
do you |
| 22:35 |
shk3 |
i will come back on that to you |
| 22:35 |
edrin |
;) |
