I'm trying to cut down on the number of conformers generated during a systematic conformer scan and I noticed the function OBRotorList::RemoveSymVals which seems to use symmetry to do exactly that.
However, RemoveSymVals is never called, despite the existence of a member variable _removesym which is set to true in OBRotorList::OBRotorList(). Does anyone know anything about this before I starting digging down into it? Is there a problem with this function? - Noel ------------------------------------------------------------------------------ This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
