The Chemistry Development Kit
The Chemistry Development Kit (also known as CDK) is a platform-independent, freely distributed and open source library software implemented in Java and designed especially for structural bioinformatics, cheminformatics and computational chemistry.
The project comprises of various useful algorithms and data structures tailored specifically for programmers who want to save a lot of time and effort by reusing code. The Chemistry Development Kit is not designed to be used by end-users.
Features at a glance
Key features include support for reading and writing chemical data formats, support for rendering chemical structures, support for QSAR (Quantitative Structure–activity Relationship) descriptors, as well as built-in algorithms for supporting the chemical graph theory.
For your convenience, the application is distributed as pre-built binaries in the JAR file format. To use it in your project, simply download the latest stable version from Softpedia using the link above, where you can also find the program’s source tarball.
Programmers will find detailed information about how to compile the program from sources, how to run various tests, as well as how to use it in other programs in the README.txt file that is located inside the tar.gz archive.
Under the hood and supported OSes
Taking a look under the hood of the CDK (Chemistry Development Kit) software, we can mention that it has been written entirely in the Java programming language.
Currently, it is fully compatible with 32-bit and 64-bit flavors of the GNU/Linux, Microsoft Windows and Mac OS X operating systems. However, it should work on any OS supported by the Java Runtime Environment (JRE) and Java Development Kit (JDK) technologies.