On 12/03/2013 12:54 PM, Noel O'Boyle wrote: > We don't support generation of R and S labels. However, we do store > the stereochemistry. It's all stored in that config object. Clockwise > and Anticlockwise are with respect to the stereo refs in the config. > It should be clear enough from the docs (googling "openbabel > stereochemistry"): http://openbabel.org/api/2.3.0/group__stereo.shtml > > If you are still confused let us know...
Sorry Noel, I'm not a chemist. I know that if I need to unscrew a bolt and I'm looking at it from the front, I need to turn the spanner one way and if I'm looking from the back I need to turn it the other way. What I don't know is how you can tell rectal from withershins when you don't know which way you're looking. I'm confused. -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
signature.asc
Description: OpenPGP digital signature
------------------------------------------------------------------------------ Rapidly troubleshoot problems before they affect your business. Most IT organizations don't have a clear picture of how application performance affects their revenue. With AppDynamics, you get 100% visibility into your Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro! http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
