Chemistry Development Kit is a collection of Java classes used for chemo- and bioinformatics.
The Chemistry Development Kit (CDK) classes are essential Java utility classes for ChemoInformatics and Computational Chemistry. They are constantly developed in parallel with other projects that utilize them. These classes are a comprehensive re-write of the CompChem classes, which served as the foundation of JChemPaint, a Java Editor for 2D chemical structures and JMDraw, a Java package for the graphical layout of 2D chemical structures.
In September 2000, the CDK project began to supplant the CompChem libraries used by JChemPaint, Jmol, and SENECA. Although it is no longer in its initial stages, the project continues to solidify progressively. Christoph Steinbeck and Egon Willighagen from the Chemoinformatics Group at the Max Planck Institute of Chemical Ecology in Jena, as well as Dan Gezelter from Notre Dame University, South Bend, USA, the instigator of Jmol, a 3D viewer and analyzer for molecules, were among the people who contributed to setting up the project. Egon Willighagen, a part of the University of Nijmegen, The Netherlands, also contributed to JChemPaint and numerous other Java Chemoinformatics programs.
The rewrite of these CompChem/CDK library classes has an impact on all of our projects. Our code is reliant to some extent on the so-called CompChem classes for computational chemistry. Christoph Steinbeck began working on this chemistry library as he programmed SENECA, a system for computer-assisted structure elucidation, but it turned out that some of the code had design flaws that prohibited others, like the authors of Jmol, from using it.
In September 2000, the CDK project began to supplant the CompChem libraries used by JChemPaint, Jmol, and SENECA. Although it is no longer in its initial stages, the project continues to solidify progressively. Christoph Steinbeck and Egon Willighagen from the Chemoinformatics Group at the Max Planck Institute of Chemical Ecology in Jena, as well as Dan Gezelter from Notre Dame University, South Bend, USA, the instigator of Jmol, a 3D viewer and analyzer for molecules, were among the people who contributed to setting up the project. Egon Willighagen, a part of the University of Nijmegen, The Netherlands, also contributed to JChemPaint and numerous other Java Chemoinformatics programs.
The rewrite of these CompChem/CDK library classes has an impact on all of our projects. Our code is reliant to some extent on the so-called CompChem classes for computational chemistry. Christoph Steinbeck began working on this chemistry library as he programmed SENECA, a system for computer-assisted structure elucidation, but it turned out that some of the code had design flaws that prohibited others, like the authors of Jmol, from using it.
What's New
Version 1.2.3: N/A