Konqueror Web Shortcuts for CHEMINF

In 2004 I wrote up a short CDK News article on how to set up Konqueror web shortcuts for the CDK (Windows users can download Konqueror here). They are very handy, and I just found another simple use case, and as I have not seen it get much attention recently, and it is a great productivity tool, here goes.

1 minute read

ChemWriter, Google Chrome, and Many Eyes in Open Source

Update: Wow, how tired can you be. I have to apologize for this post: as Andrew points out in the comments, Rich did not analyze the Chrome source code, but his own source code. That is not so special indeed. I have misread Rich’ post. This completely ruins the point I was making. He did not take advantage of Chrome being Open Source, and find the problem that way, but in an old fashion debugging session on ChemWriter. The below could have happened, but it didn’t.

1 minute read

Adding a new dictionary to Oscar

Say, you have your own dictionary of chemical compounds. For example, like your company’s list of yet-unpublished internal research codes. Still, you want to index your local listserv to make it easier for your employees to search for particular chemistry you are working on and perhaps related to something done at other company sites. This is what Oscar is for.

2 minute read

Uppsala Status Report

As you know, my post-doc in Uppsala ended. It was a good time, and it was great collaborating on Bioclipse with Ola, Jonathan, Arvid, and Carl. I would have loved tighter integration with the work of Maris and Martin, but that was limited to one joined paper (in press). I thank Professors Jarl Wikberg and Eva Brittebo for allowing me to continue my research at their department, and hope this is not the end of the collaboration yet.

8 minute read

Installing Oscar

About half-way my Oscar project now. I blogged about the Oscar Java API, the command line utility, and the Taverna plugin (all in development). Also, David Jessop joined in, boosting the refactoring. The meeting with the ChEBI team last week was great too. We worked out details for the use cases, involving Oscar and Lezan’s ChemicalTagger.

2 minute read

More fails... (aka: no VR grant awarded)

I failed to get a VR grant in 2010. The arguments are interesting:

3 minute read

Why you have not heard me much about chemometrics recently...

A casual reader my not know the background of the title of my blog. A bit over five years ago, when I started this blog, I defined chemblaics:

6 minute read