The Chemistry Development Kit / News: Recent posts

New plugin website launched

I've created a new plugin website which is much easier maintainable, thus
will be more up to date. Plugins can no longer be downloaded from SF, but from
this new download page instead.

Try it (comments/ideas welcomed):

Posted by Egon Willighagen 2004-08-10

CDK News 1/1 out

The first issue of CDK News is out. It contains an editorial and five other articles, two of which are regular articles.

Posted by Egon Willighagen 2004-07-23

20040622 broken, fix released

Release 20040622 was released in a broken state: it did not build because a number of configuration files were missing. The 20040626 release should fix this.

Posted by Egon Willighagen 2004-06-26

CDK 20040622 released

This release adds a MOPAC, an INChI and JME reader, and improved 2D rendering settings, including anti-aliasing. It also addresses problems in the SMILES parser, fixes a few rendering problems, a Mol2Reader bug, and the SMILES generator now takes into account sp2 states of atoms when generating SMILES.

Posted by Egon Willighagen 2004-06-23

Atom type lists on website

CDK uses internally a few atom type lists for certain functionality (e.g.
determining the number of missing hydrogens).
These three lists are now published on the CDK website:

Posted by Egon Willighagen 2004-06-02

CDK 20040513 released

A new CDK release which includes many bug fixes.

Posted by Egon Willighagen 2004-05-13

New plugin versions uploaded

New versions have been uploaded of the DirBrowser and the RSSViewerPlugin plugins.

Posted by Egon Willighagen 2004-05-11

CDK 20040323 release

A new CDK version has been released. Many changes and bugfixes. Read the changelog at

Posted by Egon Willighagen 2004-03-24

New plugins uploaded

New version of these plugins have been uploaded: DirBrowser and RSSViewer.

Posted by Egon Willighagen 2004-02-06

Debian package uploaded to

The Debian package for 20040202 has just been uploaded to See for information on how to apt-get the new cdk package.

Posted by Egon Willighagen 2004-02-03

CDK 20040202 released

CDK 20040202 is released and contains a new build system and a lot of bug fixes.

Posted by Egon Willighagen 2004-02-02

CDK 20040120 released

A new release has been done. Lot's of changes, very much worth reading the ChangeLog. Have fun!

Posted by Egon Willighagen 2004-01-20

CDK CVS now also compiles with Java1.3

Well, almost. Some classes require J1.4 classes which make them impossible tom compile with J1.3. Fortunately, the Ant build file detects Java1.3 and will not try to compile these classes (see cdk/src/java14.javaclasses).

Posted by Egon Willighagen 2003-10-09

RFC 23 and 24 being dicussed

At this moment RFC 23 and 24 can be discussed. RFC 24 is about adding information about required jars into JavaDoc, and 23 is about storage of geometry optimization results.

Posted by Egon Willighagen 2003-09-30

RFCs #18, 20, 21 and 22 accepted

Last week the voting for RFCs #18, 20, 21 and 22 ended and all were accepted with 5 votes in favor and 0 against.

Posted by Egon Willighagen 2003-09-18

CDK now compiles with Javac 1.4 and GCJ 3.3.1

Today bug #807833 was fixed and closed so that CDK now also compiles with GCJ 3.3.1. Compiling with Javac 1.3 has to be fixed yet.

Posted by Egon Willighagen 2003-09-18

Updated User Guide online

The Programming Reference (aka User Guide) has been updated on the website. Please send feature requests for parts that you would like to see added to the tutorial.

Posted by Egon Willighagen 2003-09-15

Most stable CDK release ever

It was already mentioned that only two known bugs remain in CDK. And this makes CDK 20030909 even more stable that it already normally was.
If you disagree, please file new bug reports ;)

Posted by Egon Willighagen 2003-09-09

JChemPaint 2.0 nearing a stable release

With a lot of new features added over the past few months and a full integration with and use of CDK, JChemPaint 2.0 is much closer to a release. A feature freeze has been called, and mostly bugfixing remains for the next stable release of JChemPaint.

Posted by Egon Willighagen 2003-09-09

Only two bugs left

After a 2/3 weeks of debugging, CDK has reached a record lowth in more than a year in the number of known bugs. Only two are remaining at this moment. Thanx to all developers who took part in the debugging.

Posted by Egon Willighagen 2003-09-09

Voting has been called for RFC #18, 20, 21 and 22

Everyone (developers and users) can vote on these RFC's by sending a filled out ballot to The topics are: a new RFC system, API of ChemObject, replacement of SetOfMolecules by SetOfAtomcontainers in ChemModel, and representation of hydrogen bonds.

Posted by Egon Willighagen 2003-09-08

Binary packages for windows and Debian GNU/Linux available

Binary packages for MS-Windows, and for Debian GNU/Linux are now avaiable from the SF website. Additionally, there is also a "./configure && make" source package for other GNU/Linux platforms and other UNIX flavors.

Posted by Egon Willighagen 2003-07-03

New CDK release

Lots of fixes and improvements:
The SMILES parser reads formal charges and mass numbers. New methods were added for subgraph atom mapping. CMLReader can use the J2SE 1.4 JAXP XML parser. IO classes can now be customized. Missing 3D coordinates can now be generated. Over 20 bugfixes were made. ChemObject now has protected flag and pointer fields with get/set methods.

Posted by Egon Willighagen 2003-07-02

More activity on IRC channel #cdk

Some of you have already noticed this, but the activity on CDK's IRC (Internet Relay Chat) channel #cdk at the network is growing. Almost daily CDK developers can be found online for a chat. In addition, a bot (called CIA) is online which posts commit messages to the channel, allowing witnessing live CDK development.

Posted by Egon Willighagen 2003-07-01

250th JUnit test added

CDK now uses 250 JUnit tests to ensure the correctness of the library methods. The core classes make up about 100 of these. Writing such tests is important and tedious to do, but very easy to learn. Contributing new tests is highly appreciated.

Posted by Egon Willighagen 2003-06-20

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