No problem, my own fault. I wrote about it in another email - I had FindChiralCenters() in my code and just didn't expect the results to be different. Mea culpa :)
On Tue, 2010-11-23 at 04:23 -0500, Noel O'Boyle wrote: > What exactly is the problem? > > - Noel > > On 22 November 2010 21:03, Igor Filippov [Contr] <filipp...@mail.nih.gov> > wrote: > > It looks like the new version of OB is "fixing" stereochemistry behind > > the scenes even when it's not a desired behavior. Is there any way to > > make OB respect stereo information as given and not modify hash- or > > wedge-bond attributes? > > > > See attached SD files, the structures 1,5, and 6 in particular. > > > > Igor > > > > ------------------------------------------------------------------------------ > > Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! > > Tap into the largest installed PC base & get more eyes on your game by > > optimizing for Intel(R) Graphics Technology. Get started today with the > > Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. > > http://p.sf.net/sfu/intelisp-dev2dev > > _______________________________________________ > > OpenBabel-Devel mailing list > > OpenBabel-Devel@lists.sourceforge.net > > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > > > > ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
