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Update: JChemExtensions ver2.1.2.v0118
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Link to postPosted: Tue Jun 29, 2010 10:36 amPost subject: Update: JChemExtensions ver2.1.2.v0118 Reply with quote

We are glad to tell you that we  just released new version of JChemExtensions.

Please visit  our page and try new JChemExtensions. Of course, Marvin Family Nodes user can get new version free of charge!!

[1. New Features and improvements]
   Marvin/JChem 5.3.4 are used.

[ 2. New Nodes] 

New Nodes Description
JChemDelete Deleting structure tables of relational databases.
DocumentExtractor Extracts chemical names from text documents and converts them to chemical structures.
Variable Based MolImporter Molecule file importer from variable locations.
Variable Based PdbImporter Imports biochemical data from PDB file from variable locations.
GetMolNameAndComment Get molecule name and comment.
SetMolNameAndComment Set molecule name and comment.
Metabolizer Metabolizer enumerates all the possible metabolites of a given substrate and predicts the major metabolites and estimates metabolic stability.
JChem External Tool Allows running an external program on the data.

[ 3.Improvements ]

Nodes Description
Calculator Plugins  Modifies GUI and features based on JChem/Marvin updating.
MrvToSmilesConverter  Adds export options.
MrvToCmlConverter  Adds export options.
JChemManager Supports to create and connect local database (File system database). The method of connecting DB is simplified.
JChemCartridge The method of connecting DB is simplified.
Reactor Adds Keep properties of reactants options. Ratio of the reactants can be set for Reactor. Reactor supports a new output type: fused reaction output.
R-group Decomposition Adds outputs Markush structure options.
Supports Color Attribute of  Color Manager node (From Menu:View > Show Color Information).
All nodes Improved error reporting.

[ 4.Bug fixes ]

Nodes Description

The fetch speed slows if a huge results are gotten.

MarvinSketch Some shortcut keys are invalid.
MarvinView The index 0 record is highlighted in some case.


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