What exactly are you trying to do? Unfortunately, some parts of the C++ API are not accessible from any of the language bindings due to the use of nested classes for some of the stereo (this is a limitation of SWIG). In theory there are ways around this; in practice, I couldn't figure them out.
- Noel On 22 February 2012 00:49, Gonzalo Hernandez <gonzal...@gmail.com> wrote: > Hi, > I know the stereochemistry has been rewritten in version 2.3 and there are > examples of how to use it in C++. Is it possible to use these new > stereochemistry classes in Python? Could you point me to an example? > Thank you, > Gonzalo > > On Sat, Feb 18, 2012 at 5:27 PM, Noel O'Boyle <baoille...@gmail.com> wrote: >> >> Hey Tim, >> >> I hope all is well with you. >> >> Someone was just asking me whether this is possible to enumerate >> tautomers with OB (for ligand preparation for docking), and I've just >> discovered your tautomerism code from last November. >> >> The code seems to implement Roger Sayle's recipe up until the >> keto/enol part. Are you planning to add in support for keto/enol in >> the future? >> >> - Noel >> >> >> ------------------------------------------------------------------------------ >> Virtualization & Cloud Management Using Capacity Planning >> Cloud computing makes use of virtualization - but cloud computing >> also focuses on allowing computing to be delivered as a service. >> http://www.accelacomm.com/jaw/sfnl/114/51521223/ >> _______________________________________________ >> OpenBabel-Devel mailing list >> OpenBabel-Devel@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-devel > > > > > -- > "For the determined mind, it's not a matter of if, it's a matter of when'" > T. Sanchez > > ------------------------------------------------------------------------------ > Virtualization & Cloud Management Using Capacity Planning > Cloud computing makes use of virtualization - but cloud computing > also focuses on allowing computing to be delivered as a service. > http://www.accelacomm.com/jaw/sfnl/114/51521223/ > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > ------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
