Hi, All
The latest version of JChemExtensions(1.5.2) has over 30 nodes.
[Product Repository Tree]
<>
|---- MrvConverter
|---- MrvToMol2Converter
|---- MrvToPdbConverter
|---- MrvToSdfConverter
|---- MrvToSmilesConverter
|---- MrvToStringConverter
|---- MarvinSketch
|---- MolExporter |---- MolImporter
|---- MultipleMolImporter
|---- PdbImporter
< Visualizer >
|---- MarvinSpace
|---- MarvinTable
|---- MarvinView
<>
|---- JChemCartridge
|---- JChemManager
|---- JChemSearch
|---- JChemUpdate
|--- Calculator Plugins:ElementalAnalysis
|--- Calculator Plugins:IUPACName
|
|--- Calculator Plugins/Protonation: PKa
|--- Calculator Plugins/Protonation: MajorMicrospecies
|--- Calculator Plugins/Protonation: IsoelectricPoint
|
|--- Calculator Plugins/Partitioning: LogP
|--- Calculator Plugins/Partitioning: LogD
|
|---- ChemicalTerms
|---- Fragmenter
|---- LibraryMCS
|---- MolSearch
|---- RGroupDecomposition
|---- Standardizer
Please see the page (http://www.infocom.co.jp/bio/develop/jchemextension_en.html ) about "Node Descriptions".
we’ve prepared an evaluation program and academic package for Knime user.
See:
[About evaluation program]
http://www.infocom.co.jp/bio/develop/jchemextension_en.html
[Academic Package]
http://www.infocom.co.jp/bio/develop/jchemextension_academic_en.html
Regards,