Hi all, I have secretly uploaded releases 1.3.7 (in December) and 1.3.8, and normally blog about that. I have yet to write up the full posts, but here are the summaries:
1.3.7 Various small documentation fixes. Added a reader for MoSS output files for substructure search results. Added support for aromatic bonds in atomic signatures. Reimplementation of the Murcko fragmenter. Fixed reading of single space field values in SD files. Fixed bug #2993561 by throwing a change event when a property is removed. Added (de)serialization into RDF triples of (part of) the CDK data model. Added JNI-InChI 0.7 with Standard InChI support and based on InChI 1.0.3. Updated the CDKSourceCodeWriter to create compilable source code. Fixes in the molecular formula handling. Added an implementation of the Fmf descriptor. Added new atom types for phosphorus and sulphur. Added acidic and basic group count descriptors. 1.3.8 This release introduces the new rendering API, and a basic implementation of the CIP rules for R,S stereochemistry assigments. The amino acid count descriptor was made threadsafe, and output to STDOUT was removed. A fix in the PDB data classes returning of monomers when no strand is defined. Part of these two releases are also a few fixes that solve a number of outstanding failing unit tests. In fact, the number is approaching that of the 1.2.x series. From my point of view, there are only a few things left: the core module must become stable again (I'm giving up on a stable standard module), and the core rendering api implementation must be included (the API itself was included . The latter is actually a larger task and Gilleain already wrote quite a few missing unit tests, but your help is still very much appreciated. I will try to rebase CDK-JChemPaint on 1.3.8 very soon and make a new release of the latter. Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
