JChem and Marvin 5.5 launched

news · 9 years ago

We are pleased to announce the launch of Marvin and JChem 5.5, the major new features are listed below along with links to download. JChem for Excel and Instant JChem will be released in the next couple of days.

Marvin 5.5 - major changes and features

  • Bold Tool thickens molecular bonds to improve visualizing the perspective
  • Improved display of aromatic rings in 3D
  • Sketch canvas can be scrolled by arrow keys, zoomed using the mouse wheel
  • Inserting special characters and symbols within reactions
  • Marvin can differentiate syn, anti, endo, exo, allene, cumulene, atrop and other axial stereo isomers at API level; and export syn, anti, endo and exo into ChemAxon
  • Extended SMILES and SMARTS formats
  • Electron flow arrows are redesigned
  • Java 1.6 is required
  • Substructure Checker: detects user defined substructures (requires JChem)
  • Major rewrite of the Name to Structure converter. Higher precision (around 50% improvement) and support for additional names

Marvin download ~ History of changes (all features and bugfixes)

JChem 5.5 - major changes and features

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  • Sophisticated formula search in JChem Base and Cartridge
  • New stereo types support in structure searching: syn, anti, atrop, allene, cumulene
  • Search performance enhancements: R-group search and database Markush search
  • Support for large Markush structures (up to thousands of R-group definitions)
  • Reactor supports copying reactant fields to products
  • Substructure Checker: allows the specification of custom checkers in SMARTS format
  • Manual selection of preferred regioisomeric products in Reactor
  • ECFC: ECFP now supports feature frequency counts
  • ECFP: feature lookup is available (fingerprint 'bit' can be traced back to relevant substructure)
  • JChem Download ~ History of changes (all features and bugfixes)