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chem-bla-ics

chem-bla-ics
Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.
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CdkBlue-obeliskCmlKimya Bilimleriİngilizce
Yayınlandı

Tobias commited Jumbo 5.0 to CDK CVS, so that the CDK is now again up to date with the latest CML library. Note that Jumbo 5.0 requires Java 5.0. At first all JUnit tests seems to work, but apparently the CML2Writer tests were skipped because they were only run when Java 1.4 was found. I updated the test for the a appropriate Java version, and then it turned out that most tests fail.

CdkUmlKimya Bilimleriİngilizce
Yayınlandı

The code clean up after CDK’s interfaces transition is in progress, and two CDK modules are now independent of the data module. After doing the core module , the standard was next, and I finished this yesterday. The dependencies in CVS now look like (click it to get a larger view): IMAGE LOST This UML diagram was made with Umbrello, and the source is in XMI in CVS.

FeedsBlue-obeliskKimya Bilimleriİngilizce
Yayınlandı

After requests I added yesterday more visible the RSS and Atom feeds for the Planet Blue Obelisk. They are linked in the menu on the right, and as alternative links to the document. These should show up in most recent webbrowsers as feed icon in the lower right corner of the browser window. It is often an orange icon. I also added a ‘Leave a comment’ link to encourage people to leave comments on items. Please do!

JchempaintCdkBioclipseKimya Bilimleriİngilizce
Yayınlandı

Stefan has done an excellent debugging week on JChemPaint, while I have been late with a 2.1 release. Anyway, I’ve just uploaded a Java 1.4 compiled JChemPaint 2.1 series release. I was told the (reported) bug count is down to one, so I expect to see the next stable branch to be released soon (2.2 series). But what after JChemPaint 2.2 gets released? Will a 2.3 developers branch be opened?

KdeKimya Bilimleriİngilizce
Yayınlandı

KDE 3.5 was released with lots of changes. SuperKaramba is now a standard KDE application and is neatly integrated. It allows embedding themelets on your desktop background. It shows several themelets: the weather, a calender, a toolbar with applications, a FoldingAtHome monitor , the contents of the clipboard, the music that is playing (Cake) and a simple todo list. All customizable up to the pixel.

Blue-obeliskFeedsKimya Bilimleriİngilizce
Yayınlandı

Today I setup a blog planet for Blue Obelisk members. First I tried Chumpologica but it did not read Atom feeds. Next in line was Planet , which turned out to be used by many big planet sites, like Planet Debian . It also works with Atom feeds in general, but not well with Atom 1.0 feeds, like that of Carsten. After some googling I found a patched version which did the job.

JmolJavaKimya Bilimleriİngilizce
Yayınlandı

Where I was able to mention earlier that JChemPaint now runs with free (as in open source) Java virtual machines, I just tried to run the core Jmol renderer, using the Integration.java which comes as an example. Sadly, the original screenshots got lost that were made with jamvm 1.3.3 and classpath 0.19. It is very slow, however. I have not tried it with other free virtual machines, which are supposedly faster.

SvnKimya Bilimleriİngilizce
Yayınlandı

Doesn’t happen often, but my machine crashed two hours ago. Not a big deal, because I have my important files in SVN. Oh wait, SVN had a commit in progress during the crash. So, svn recover. Mmmm… doesn’t work either. OK, SVN FAQ: try db_recover. That worked. No, it did not: svn commit still not working for the files I was trying to commit.

CdkBioclipseKimya Bilimleriİngilizce
Yayınlandı

Some weeks back there was the CDK5AW , the CDK 5th anniversiry workshop. A small group of international open source chemo-, bioinformatics software developers met, among which two from Sweden. It was then decided to generalize their work resulting in Bioclipse: https://www.bioclipse.net/ It’s heavily using the Eclipse Rich Client Platform , making additional plugins trivial.

JchempaintJavaJmolLinuxKimya Bilimleriİngilizce
Yayınlandı

Thanx to Mark’s encouragements, I tried to run Jmol and JChemPaint with jamvm. Jmol fails with an NullPointerException , but JChemPaint runs! And note that this was not even running with the latest of the latest; just recent packages from Kubuntu! Yes, there are some glitches, but I’m happy nevertheless!