Dear CDK Users and Developers, Its my pleasure to announce a new Atom Atom Mapping Tool (AAMTool) for mapping enzymatic reactions, built on the SMSD and CDK.
http://chembioinfo.com/2014/03/18/aam/ You can download the tool from the SF https://sourceforge.net/projects/aamtool/ As a test case we have mapped more than 4000 Rhea (https://www.ebi.ac.uk/rhea/) reactions and the results are available on https://github.com/asad/AAMTool/tree/master/rhea_50 Hope you like this tool! Please feel free to drop your feedback. Best regards, Asad ------------------------------------------------------------------------------ Learn Graph Databases - Download FREE O'Reilly Book "Graph Databases" is the definitive new guide to graph databases and their applications. Written by three acclaimed leaders in the field, this first edition is now available. Download your free book today! http://p.sf.net/sfu/13534_NeoTech _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
