No, there is not yet support for grabbing all stereochemistry from CDX files. In the 2.3.x effort, the stereochemistry code was completely rewritten.
If you are considering looking at the code, I suggest posting to the list, as others (particularly Noel O'Boyle) can probably help. -Geoff On Feb 15, 2012, at 12:00 PM, dannihar...@sbcglobal.net wrote: > Geoff----I see a post back on Sept 11 2007 re: loss of chirality info in > converting between CDX to 'other formats capable of capturing > stereochemistry'. I still see this an issue in V 2.3.1? Am I missing > something ---this hasn't been patched? I was going to start to look at the > code underlying this conversion---but I figure in 2012 this must have been > 'fixed'. Am I missing something on 'flag specification'? I haven't tried this > particular version at from the C++ level ---just ---command line. Finally > thanks for all your development efforts ---powerful tool ---make use of it at > the C++ level each and every day. Danni ------------------------------------------------------------------------------ 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
