When I read molecules in from an SD file using IteratingMDLReader, properties are available in the Molecule's getProperty() method.
However, when I write out the molecule, these properties are not written to the SD file using MDLWriter. In fact, before each molecule is written, I need to: (1) create a HashMap (2) fill it with each of the molecule's properties except for Title and Remark (3) pass the HashMap to the MDLWriter's setSdFields() method. Wouldn't it be better if MDLWriter did this automatically? (Or am I missing something here?) Regards, Noel ------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
