On Dec 10, 2007, at 9:30 AM, Gianfranco wrote: > Rajarshi Guha wrote: > > > Ok, now hydrogen adder is working and atom count is correct, thank > you. > > Please can you solve another doubt? > Into the ethane molecule I have to search a substructure whose pattern > is specified by this SMARTS: > > C(~C)(~H) > > the code should be this: > > > String pattern=?????? // What is the correct string to use here?
[CH]~C should work. In general the Daylight Depict Match page is a handy tool to work out SMARTS patterns ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Do radioactive cats have 18 half-lives? ------------------------------------------------------------------------- SF.Net email is sponsored by: Check out the new SourceForge.net Marketplace. It's the best place to buy or sell services for just about anything Open Source. http://sourceforge.net/services/buy/index.php _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
