for those who are not subscribed to the commit mailing list and who do not
update a cvs checkout daily:
1. today I added a new cdk package: cdk-experimental...
In this package classes and java packages can be placed to have not
reached a phase where it can be used for actualy use.
2. yesterday I uploaded a start of a IUPAC name generator I wrote about a
year ago. It does naming of alkanes, a bit of branching, but no numbering
yet (as an 1,2-dichloroethane). It has a very flexible and modular design,
and is able to the some interesting stuff, like localization (english and
dutch are now supported), report which IUPAC rules have been applied,
and partial naming with report of the percentage of atoms that have been
Of course, because it IUPAC name generator is very limited at this time, it is
placed in the new cdk-experimental package.
Please send me an email if interested in the IUPAC name generator. I hope to
write some documentation soon, but for now you'll have to ask me questions
about it if you want to learn more about it.
PhD Molecular Representation in Chemometrics
Dept. Analytical Chemistry