I have a group of molecules, some of which contain a common substructure. I want to display the molecules with common substructures using the same orientation for each. How can I do this in CDK?
I had a look at Kabsch Alignment: http://cdk.sourceforge.net/api/org/openscience/cdk/geometry/alignment/KabschAlignment.html but I'm not sure it's what I'm looking for. If not, does CDK have the capability I described? thanks, Rich ____________________________ Richard Apodaca Blog: http://depth-first.com ____________________________________________________________________________________ Yahoo! Music Unlimited Access over 1 million songs. http://music.yahoo.com/unlimited ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys - and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
