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Sunday, June 19, 2011

CDK 1.3.12: the changes

I have uploaded CDK 1.3.12 to SourceForge. This is an important milestone release, as it contains the last bit of CDK-JChemPaint code to render molecules. Now for real :) It also contains the new volume descriptor.

The milestone bit is in the fact that with the addition of this extra bit of CDK-JChemPaint, the CDK 1.4.x series is now feature complete, moving it into freeze mode. This means for the development the following two things (in short): 1. no API changes are allowed, and 2. new functionality requires double reviewing.

This freeze means practically that the next weeks, we'll mostly see small clean up work, partly in the build system, partly in JavaDoc fixes, etc, and hopefully a few bug fixes for the open list of bug reports. It also means that continued development of the CDK 1.2.x series has come to a stop, and that we will likely see a CDK 1.5.0 release soon too, initiating the next development cycle.

What CDK 1.6 will bring? Hopefully, the CDK-JChemPaint editing functionality, perhaps alternative aromaticity models (see the cdk-devel mailing list), and hopefully more code from CDK-based products like AMBIT, PaDEL, ScaffoldHunter, and Craft. The challenge here is to find and then port patches back into the CDK back into the main library.