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Wednesday, August 05, 2009

JChemPaint-Primary being picked up...

Backporting the JChemPaint-Primary patch for master to the cdk-1.2.x branch turned out to be fairly easy, but is a major step forward as we now have a patch to extend CDK 1.2.x with rendering support again, a major thing we lost when going from the CDK 1.0 to the 1.2 series.

For example, KNIME delayed moving to CDK 1.2 because of the lack of the renderer. Another project that really wanted to have the renderer was Ruby CDK (rcdk-ng, but not the same as the R rcdk package :), originally started by Rich, now maintained by Sebastian Klemm at the Institute for Pharmatechnology of the University of Applied Science, Switzerland.

Ruby CDK is a web environment for molecular structures, and based on the new rendering code, it looks like (copyright by Sebastian):