On Wed, Mar 23, 2011 at 8:29 AM, Desmond Lim <limwen...@gmail.com> wrote: > Can you point me to places where I can find either examples or API?
I have been writing up an introduction to the CDK API as a book. The first edition is out a couple of weeks now: http://chem-bla-ics.blogspot.com/2011/02/groovy-cheminformatics.html The full JavaDoc is available at: http://pele.farmbio.uu.se/nightly-1.4.x/cdk-javadoc-1.3.8/index.html (Update the version number for 1.3.8 when later versions are out... or, just visit the nightly build service: http://pele.farmbio.uu.se/supernightly/ and look out for the 'Browse online' links for the API Documentation) Obviously, you should have a look at least at these classes: - org.openscience.cdk.io.PDBReader - org.openscience.cdk.geometry.alignment.KabschAlignment I hope this helps, Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet 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 ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
