On Tue, Aug 9, 2011 at 6:22 AM, Pudney Chris (ext) GBJH <chris.pud...@syngenta.com> wrote: > I'm migrating code from CDK 1.2 to 1.4. The code I wrote (several years > ago now) for structure diagram generation still compiles and runs > against CDK 1.4 but I'm wondering whether there are better techniques > available now.
Looks OK. The only thing I can think of, but that was present in 1.2 already, is that you can choose to define some custom templates. If you have a set of congenerics, a template for the core skeleton, e.g. a sterane group, will ensure that all molecules are drawing with the same orientation, making comparison easier. Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet (http://ki.se/imm) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Get a FREE DOWNLOAD! and learn more about uberSVN rich system, user administration capabilities and model configuration. Take the hassle out of deploying and managing Subversion and the tools developers use with it. http://p.sf.net/sfu/wandisco-dev2dev _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
