Hi, I know that recursive SMARTS is not supposed to be working in the non-JJTree version. Is it also broken in the JJTree version?
I have a molecule: CC(=O)CN 1. Trying to identify the carbonly oxygen using [$(C=O)] gives me five hits (basically matches every atom) when using the JJTree parser and 3 hits (every carbon is a match) when using the non-JJTree matcher. What are the plans on improving the recursive SMARTS capabilities? 2. Not really related to the CDK implementation, but how would one define a SMARTS that matches a carbonly C or a carbon attached to NH2. I thought that [$(C=O);$(CN)] would work but Daylight says this doesn't match anything ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- The only perfect science is hindsight. ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
