Calculator Plugins are modules of ChemAxon's Marvin and JChem cheminformatics platforms which calculate physico-chemical properties from chemical structures. Calculator Plugins currently cover a range of life science related properties and the development of new plugins is ongoing. Available directly from Marvin, Instant JChem and Reactor applications, command line, API or via ChemAxon's Chemical Terms language.
In the graphical user interface of MarvinSketch and MarvinView the available calculator plugins are located in the Tools menu. The screenshots of this help were prepared using MarvinSketch v5.0.0 or above.
Plugin calculations can be run by the command line tool cxcalc. The calculations can be performed in single or batch mode. Batch processing is available using Calculator (see the list of calculations accessible from Calculator).
The calculations are used in the Chemical Terms language with which you are able to calculate combinations of properties (like Lipinski's rule of 5) in an easy way. Learn more about it in the Chemical Terms section.
Plugin calculations can be used for filtering results of database searches in JChem Base, Instant JChem and JChem Cartridge.
Define smart reaction rules using plugin calculations in Reactor (ChemAxon's virtual reaction processing tool).
Plugin calculations can be integrated easily into any Java application. For more information on using calculator plugin Java API please see our chemaxon.marvin.calculation package.
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