Dear All, two major bugs were fixed in 2D layout (StructureDiagramGenerator SDG). Since this affects many important applications of CDK, such as SMILES layout, I thought I post it here.
The correct code is in CDK's subversion repository on SourceForge. The first bug was recently introduced by a fix in GeometryTools which rendered a workaround in SDG obsolete :-) This one led to structures folded onto themselves. The second bug was in there for quite a while and led to misplaced ring substituents in cases such as the lower right corner of a cyclobutane ring. This was less severe but annoying. People who use CDK SDG regularly will know what I mean. Cheers, Chris -- PD Dr. Christoph Steinbeck Lecturer in Chemoinformatics Univ. Tuebingen, WSI-RA, Sand 1, D-72076 Tuebingen, Germany Phone: (+49/0) 7071-29-78978 Fax: (+49/0) 7071-29-5091 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. ------------------------------------------------------------------------- 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
