On Sunday 05 February 2006 00:12, Bala B K wrote: > I wanted to add a new valency type for carbon namely carbonium > ion. This is a carbon with 5 bonds and a positive charge. Is it > possible to do this in CDK?
Yes. You can add this to the data file: src/org/openscience/cdk/config/data/hybridization_atomtypes.xml And make sure to use the IValencyChecker that uses this file. Egon -- [EMAIL PROTECTED] PhD student on Molecular Representation in Chemometrics Radboud University Nijmegen Blog: http://chem-bla-ics.blogspot.com/ http://www.cac.science.ru.nl/people/egonw/ GPG: 1024D/D6336BA6 ------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Do you grep through log files for problems? Stop! Download the new AJAX search engine that makes searching your log files as easy as surfing the web. DOWNLOAD SPLUNK! http://sel.as-us.falkag.net/sel?cmd=lnk&kid=103432&bid=230486&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
