On Wednesday 17 January 2007 10:47, phanirao palivela wrote: > 1. IAtomContainer ac = (IAtomContainer)v.get(0); > 2. int natom = ac.getAtomCount(); > 3. int nbond = ac.getBondCount(); > 4. IAtom ele = ac.getAtomAt(3); > 5. System.out.println(ele); > > after execution i got the O/P as follows--- > > Atom(33018164, C, H:0, SP:0, 2D:[null], 3D:[(-0.6525, -0.3973, 0.0)], > Fract3D:[n ull], C:0.0, FC:0, AtomType(C.3, MBO:0.0, BOS:0.0, FC:0, H:3, > NC:-2147483648, CR > :0.0, VDWR:0.0, EV:-2147483648, Isotope(0, EM:-1.0, AB:-1.0, Element(C, > : ID:C4, AN:0)))) > > now i want to take the o/p in a string form in my program or,i want to > retrieve Element(C, ID:C4, AN:0) only.... i am waiting for your reply...
With the CDK version from SVN you should be able to do: IElement element = new Element(ele); System.out.println(element); Egon -- CUBIC blog: http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- 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
