New features and improvements

• MarvinSketch Dialog
• 'Zoom to scaffold' checkbox option has been added to the "Preferences>Save/Load" tab. Documentation
• Structure Checker
• External structure checker configuration file URL can be set via Java System Property.

Bugfixes

• Editing
• Electron-flow arrow could not be drawn from the A-B bond to the incipient A-C bond of an A-B-C structure. Forum
• Import/Export
• MolInputStream and MolImporter could have different format options.
• MolImporter did not close its inputstream when an exception was thrown in the constructor.
• MOL, SDF, RXN, RDF
• Molecule type property was allowed in SDF, CSSDF export.
• The coordinates of the sequence residue imported from SCSR MOL files were wrong if the residue had three attachment point.
• CDX/CDXML
• Color and text format of atom label is exported to CDX and imported from CDX and CDXML. Forum
• Graphical brackets were not imported from CDX files.
• Gaussian Z-matrix input format
• Command line, title line, and extra input properties were not exported to Gaussian Z-matrix input format. Forum
• Clean 2D
• Cleaning of position variation bonds could create overlapping bonds.
• Cleaning of bridged systems could result in overlapping atoms. Forum
• Calculations
• Topology Analysis
• Missing method has been added: TopologyAnalyserPlugin.getFsp3(). API Documentation
• logD
• New logD training documentation has been added. Documentation
• Structure Checker
• Fixer options in MarvinSketch are updated with newly defined settings.
• External checkers can be loaded from JAR file in case the JAR file contains a space.