Chemistry Development Kit
Encyclopedia : C : CH : CHE : Chemistry Development Kit
The Chemistry Development Kit is an open source Java library for Chemoinformatics and Bioinformatics. It is available for Windows, Unix, and Mac OS. It is distributed under the GNU LGPL.
Contents
History
The CDK was created in 2000 by the developers of Jmol and JChemPaint to provide a common code base.Major features
- 2D diagram editing and generation
- 3D geometry generation
- substructure search using exact structures and SMARTS-like queries
- QSAR descriptor calculation
- fingerprint calculation
- force field calculations
- many chemical input/output formats
- protein active site detection
General
- protein active site detection
General
References
- Steinbeck, C.; Han, Y. Q.; Kuhn, S.; Horlacher, O.; Luttmann, E. et al. The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics. Journal of Chemical Information and Computer Sciences 2003, 43, 493-500. DOI:[10.1021/ci025584y] Entrez PubMed [12653513]
See also
- Bioclipse - a Eclipse/RCP based chemo-/bioinformatics workbench
- Jmol - Java 3D renderer (applet and application)
- JOELib - Java version of OpenBabel/OELib
- JChemPaint (JCP) - Molecule editor
External links
Google maps
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