On Sat, Apr 13, 2013 at 11:52 AM, John May <[email protected]> wrote: > I changed the CML reader/writer a while back to be compatible with > MarvinSketch and not depend on everyone using the "dictRef". Looks like the > molecule is read correctly though and it's the selection which is messed up?
No, it's actually the CMLReader which *was* broken. Your patch fixed the issue, but CDK 1.4.14 is confirmed to incorrectly read the wedge bond info :( Egon -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) 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 ------------------------------------------------------------------------------ Precog is a next-generation analytics platform capable of advanced analytics on semi-structured data. The platform includes APIs for building apps and a phenomenal toolset for data science. Developers can use our toolset for easy data analysis & visualization. Get a free account! http://www2.precog.com/precogplatform/slashdotnewsletter _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
