Bioclipse: the chemo-/bioinformatics workbench

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: less than 1 minute read

Open Source Swing: JChemPaint runs!

Thanx to Mark’s encouragements, I tried to run Jmol and JChemPaint with jamvm. less than 1 minute read

The goal: a live chemblaics CD

This evening I have been looking at with the KNOPPIX customization howto, and ran many of the interesting commands. I’ve setup a environment with Kalzium, OpenBabel, CDK, jython, PyMOL, and for development I included gcj and Eclipse. At some later point I will include kfile_chemical too, but I want to make a deb package first. less than 1 minute read

Back from the 1st GCC

OK, just back from the first German Chemoinformatics Conference, which I enjoyed very much. A rather interesting program, and lots of interesting posters too. You can read the programme online, and will not spend too many words on that (at least not now). But what I will do is point out some interesting posters here. 1 minute read

Going to the German Chemoinformatics Conference

This sunday starts the first German Chemoinformatics Conference in Goslar. It’s an interesting programme , with presentations on the InChI, PubChem, 25 years of chemoinformatics, the chemical semantic web, and much more. less than 1 minute read

Scons and bksys for kfile_chemical

Not so long ago, it was decided that KDE 4.0 will use SCons as a configuration and building tool, instead of the autotools and make: the common ./configure && make && make install which has served the open source community very well for so long. less than 1 minute read

When to stop including QSAR model variables...

Yesterday I reviewed an article which published a QSPR model which looked something like: 1 minute read