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Calculator Plugins are ChemAxons range of structure based prediction tools. Single or small numbers of structures can be processed from the Tools menu of MarvinSketch and MarvinView. For batch processing they can be called from command line (via cxcalc), ChemAxon´s Chemical Terms and from the API.
Through ChemAxon´s Chemical Terms language, plugin calculations can be used for filtering database search results, to define automatically calculated database fields from JChem Base, JChem Cartridge and Instant JChem and to specify reaction rules in our virtual reaction processing tool, Reactor. JChem Cartridge also provides Oracle SQL operators for calling Chemical Terms. Calculation parameters can be specified for processing.
Calculator Plugins are based on an open plugin format allowing users to implement their own calculations.
Calculator Plugins are licensed per functional area (as grouped below) by user, for single or batch processing and an unlimited Calculator Pack. All licenses include use in all ChemAxon applications and toolkits.
Free unlimited online tryout, please visit this link (Java required) - opens in new window.
Currently available Plugins (by functional area):
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Elemental Analysis
IUPAC Name
Protonation
Partitioning
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Charge
Isomers
Conformation
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Geometry
Markush
Other
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