Yep, you are right. Newbie mistake. I was using 2.3.0 instead of the later releases. Sorry about that.
Regards, Nick -----Original Message----- From: Noel O'Boyle [mailto:baoille...@gmail.com] Sent: Monday, January 07, 2013 5:55 PM To: Nick Vandewiele Cc: openbabel-discuss@lists.sourceforge.net Subject: Re: [Open Babel] java bindings for stereo/perception.cpp? The jar file should be included with the distribution, and should have access to all of the stereo classes. In fact, Tim did some work ensuring that this was working just before the release. You don't need to use Cinfony, but for sure, you can run Cinfony and use the Java bindings from Python very easily: from cinfony impory pybel mol = pybel.readstring("smi", "C[C@](Br)(Cl)I").OBMol facade = pybel.ob.OBStereoFacade(mol) print facade.HasTetrahedralStereo(mol.GetAtom(1).GetId()) # False print facade.HasTetrahedralStereo(mol.GetAtom(2).GetId()) # True - Noel On 7 January 2013 16:32, Nick Vandewiele <nick.vandewi...@ugent.be> wrote: > Hi! > > > > I wanted to use some openbabel functionality in my java-based code, > more particularly the stereo-perception algorithm of Razinger, > implemented in the src/stereo/perception.cpp file. > > I am quite interested in this method because I believe it's the only > implementation of the Razinger algorithm that is around. > > > > So I looked at the java wrapper "openbabel.jar" on the home page, but > I couldn't find any classes related to stereochemistry in there. After > reading through the mailing list, I am aware that previously the code > in the stereo package was not ported yet. > > Could someone update me on the status of the java bindings for the > stereo functionality in OB? > > > > Does cinfony maybe provide wrappers for the stereochemistry part of > openbabel? > > Does anyone have creative ideas circumventing this problem? > > > > regards, > > > > Nick > > > ---------------------------------------------------------------------- > -------- Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, > HTML5, CSS, MVC, Windows 8 Apps, JavaScript and much more. Keep your > skills current with LearnDevNow - 3,200 step-by-step video tutorials > by Microsoft MVPs and experts. SALE $99.99 this month only -- learn > more at: > http://p.sf.net/sfu/learnmore_122412 > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft MVPs and experts. SALE $99.99 this month only -- learn more at: http://p.sf.net/sfu/learnmore_122412 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
