> You're right. We just set that to zero whatever the input. Open Babel > does not have code to determine whether a molecule is chiral or not.
Well, there is OBMol::IsChiral() -- I just didn't know about this particular flag. Should be fixed in SVN trunk, r4511. If you can, please check your script, but it looks OK to me now. -Geoff ------------------------------------------------------------------------------ Simplify data backup and recovery for your virtual environment with vRanger. Installation's a snap, and flexible recovery options mean your data is safe, secure and there when you need it. Discover what all the cheering's about. Get your free trial download today. http://p.sf.net/sfu/quest-dev2dev2 _______________________________________________ OpenBabel-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
