Hi Andreas, I meant to reply to this earlier, but I forgot. No there have not been so many changes; and yes, please do submit feature requests and bug reports.
Some aspects of the CDK's handling of small molecule PDB files are being improved by me at the moment. However, there are lots of other parts that could be better... gilleain On Thu, Mar 3, 2011 at 2:35 PM, Andreas Schueller <[email protected]> wrote: > Hi all, > > how are you doing? It's been a while. > After over two years of absence from Java programming I'm back with a small > bioinformatics Java project for some analysis of PDB structures. I have > employed CDK for reading PDB files and for providing the general framework. > > However, I quickly realised that the PDBReader and some related classes > needed work to be really useful for me. I'm using CDK version 1.2.7. > > Now my question is whether there have been a lot of changes to PDB related > classes and files (org.openscience.cdk.io.PDBReader, > org.openscience.cdk.protein.*, > org/openscience/cdk/config/data/pdb_atomtypes.xml) in the latest development > branch. If not I would like to submit some bug reports and suggestions for > design changes. > > Cheers, > Andreas > > -- > Dr. Andreas Schueller > Depto. Genética Molecular y Microbiología > Pontificia Universidad Católica de Chile > Alameda 340, Santiago, Chile > > ------------------------------------------------------------------------------ > Free Software Download: Index, Search & Analyze Logs and other IT data in > Real-Time with Splunk. Collect, index and harness all the fast moving IT > data > generated by your applications, servers and devices whether physical, > virtual > or in the cloud. Deliver compliance at lower cost and gain new business > insights. http://p.sf.net/sfu/splunk-dev2dev > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user > > ------------------------------------------------------------------------------ Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
