JChemPaint history: CML patches in 1999

There was some talk about the history of chemoinformatics toolkits by Noel and Andrew, which made me wonder on the exact history of Jmol and JChemPaint. Below is the email Christoph dug up from his archives: 1 minute read

Cherry-picking commits from CDK trunk: how to make a reasonable commit message

Some of you heard me complain about commit messages resulting from git cherry-pick which allows me to apply patches from CDK trunk to a branch, without needing to do a full merge of what happens in trunk. The commit messages would be identical, which made it seem that those original messages were mine. less than 1 minute read

Git mirror for the CDK

While slowly merging with Sweden, and ADSL which should reach my house in some two weeks, I am enjoying my new office space and Git to upload patches to the CDK. Christoph wondered if we should switch CDK from SVN to Git. A few developers objected, for various reasons: no native Windows clients (though msysgit might be the solution), no (stable) plugins for Eclipse, IDEA(?), etc. 1 minute read

Moved to Sweden: Post-doc in the Bioclipse group of Prof. Jarl Wikberg

The reason why I have not been able to blog much lately, is that my family and I have been moving to Uppsala/Sweden, where I’ll start a postdoc in the group of Jarl Wikberg @ BMC @ Uppsala University, where I’ll work on chemoinformatics in drug design, and the use of CDK and Bioclipse in particular. less than 1 minute read

FriendFeed for the Chemistry Development Kit

FriendFeed is a nice aggregation service allowing discussion of items posted from delicious, blogs, and any other RSS-based feed (e.g. my feed). It also has a room concept, where people can post stuff around a topic, such as a conference such as Science Blogging 2008 London, or the CDK: less than 1 minute read

CDK development with branches using Git

Christoph pointed me to a video on Git by Linus. CDK is now using branches extensively in development, and just set up a branch for the upcoming 1.2.0 release later this year (end of October, see cdk-1.2.x). Christoph has just reviewed the branch containing the API move to Iterable. This patch now allows to do this (which would really deserve a blog item by itself): 4 minute read

Ubiquity fun: entering semantic markup as easy as running a Ubiquity command

Now, the DOI ubiquity scripts I just blogged about, was just the beginning of things. Me exploring the environment and learning the JavaScript language. 1 minute read