Octet / News: Recent posts

New features include: stereochemical configuration; chiral molecules added to TestMolecules; updated unit tests and documentation; fix for UllmanIsomorphismTraverser implementation.

This release is compatible with Octet 0.3.2.

New features include: a modular and unified AtomGraph traversal framework; BreadthTraverser; SimpleSmilesWriter bugfix; aromaticity detection; updated documentation.

New features include: detection of AtomGraph isomorphism with an implementation of Ullman's algorithm; Molecule and Atom query facility; simplified packages; and updated documentation.

The site now has a new look and a new tutorial section containing several code examples.

New features include: CDKMolecule now works with MDLReader; a unit test demonstrates the isomorphism of CDKMolecules loaded from disk; and updated documentation.

This version is a complete rewrite. It supports the creation of molecules using either CDK or Octet APIs.

New features include: Molecule and collections immutability; refactored BasicMoleculeBuilder; enhanced boundary detection and exceptions.

New features include: more flexible traverser design; a new subgraph package with support for ring perception and manipulation; and updated documentation and unit tests.

New features include: refined traversal package; molecule copy functionality; increased error detection; updated documentation.

The Octet site has been updated. In addition to a new look, new documentation has been added.

New features include: refined molecule traversal interface; reorganized collection package; updated documentation.

This package demonstrates two approaches to integrating Octet and CDK. The first approach converts CDK Molecules to Octet Molecules and back again. The second approach creates a hybrid Molecule that inherits the CDK Molecule implementation and Octet's Molecule interface.

New features include: expanded graph traversal capabilities; updated documentation.

New features include: support for ring perception, a general fragment identification protocol, updated documentation.

New features include: updated MoleculeDecorator implementation.

New features include: collections now return arrays as well as iterators; simplified default molecule implementation; more complete periodic table; updated documentation.

Structure is a new open source project to develop an object oriented framework for 2D molecular visualization. This framework will be built on Octet. For details, see the project homepage at http://structure.sourceforge.net.

This release removed unused functionality and adds code examples to source code documentation.

This release provides support for reading molecules and associated data from the MDL SDFile (*.sd, *.sdf) specification.

New features include: support for electron and implicit hydrogen atom counting; new test molecules; and updated documentation.

New features include: support for generating walks through a molecule; support for writing and reading SSMILES strings; updated documentation.

The Octet Site has been updated. Code samples, more detailed instructions on compiling octet, and the API for v0.1.1 have been added.

New features include: improved support for immutable Molecules; updated documentation.

New features include: JUnit unit testing; MDL molfile reader/writer; partial Daylight SMILES reader implementation