Looks like the perception of chiral atoms in FindChiralCenters has changed which leads to the described behavior. I think I can work around this.
On Mon, 2010-11-22 at 16:03 -0500, Filippov, Igor (NIH/NCI) [C] 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
