Hey all, I'm thinking about giving a CINF flash talk at the Spring ACS on "What's new and cooking in OB".
It's somewhat rough, but here are the items I have so far. I've gone through the commit logs, but there seems to be a bias towards features I've added (!) so I'd appreciate if you could let me know if you can think of anything missing: ========================== What's new in OB 2.3.2? InChified SMILES and Universal SMILES Smiles options: R do not reuse bond closure symbols o output in user specified order F generate SMILES for a fragment Asciiformat and Painterformat Improved PNG depiction quality, and added all the options currently available for SVG Multimolecule PNGs Access the stereo from Python Andy Lang's new MP descriptor --highlight highlight substructures in depictions enable easier debugging of group contribution descriptors improved stereo perception from 2D wedge and hash bonds SVG highlight option - highlight molecule if condition is met What's under development? Speed up ring algorithms. New strict SMILEs parser Find duplicate molecules (--unique) MDLBench mdlvalence ========================== - Noel ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_mar _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
