Rajarshi, On 8/30/07, Rajarshi Guha <[EMAIL PROTECTED]> wrote: > On Aug 30, 2007, at 8:14 AM, Peter Maas wrote: > > Are there descriptors which have problems with explicite hydrogens? > > In general descriptors will remove H's if they are meant to work on a > H-depleted graph. I should probably check up on this.
Are you saying that there are descriptors which *modify* the input?? One more reason to have unmodifiable ChemObjects.... :( Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- 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
