On Thu, Apr 26, 2012 at 11:07 AM, Noel O'Boyle <[email protected]> wrote: > Maybe you can give that talk online sometime as part of a BBB conference. > Hint hint.
Sure, it was just 10 minutes :) > Regarding the Python stuff.... > > (1) There's no numpy port to Jython. So to access the CDK and numpy at the > same time you need to use CPython+JPype. Cinfony has this all set up for the > user, but just see the start of > https://github.com/cinfony/cinfony/blob/master/cinfony/cdk.py if someone > wants to do it him/herself. Ah, OK. > (2) How is Open Babel accessed from Java or Jython? From the point of view > of the user there's a jar file which they just import, and a JNI library > they need to System.loadLibrary. Behind the scenes, the JNI library connects > to the Open Babel C++ library (libopenbabel.so, or libopenbabel.dll). All of > this was enabled with SWIG. Again, Cinfony simplifies all of this. See the > code at the start of > https://github.com/cinfony/cinfony/blob/master/cinfony/pybel.py Of course! Cinfony is not itself accessing OB, but via the OB provided jar... should have thought of that :) Thanx for the detailed answers! I will forward this to the people who asked about it. Egon -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) 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 ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
