On Wed, 2007-05-02 at 17:35 +0200, Egon Willighagen wrote: > On Wednesday 02 May 2007, sushil ronghe wrote: > > I have builded the jar in netbeans.
> That should cover problem 1-4... not sure about 5... will file that as bug > report and look into that later. So it looks like you're automatically calculating descriptors and therefore not setting parameters for specific descriptors. The AromaticAtomDescriptor code takes a parameter to indicate whether an aromaticity perception should be carried out. By default it won't do the perception. So when you send in the molecule, either 1) Make sure that aromaticity has been perceived 2) Set the parameter for the descriptor ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- All seems condemned in the long run to approximate a state akin to Gaussian noise. -- James Martin ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
