Hello, when substructure matching C[C@@H](O)C(O)=O and c...@h](O)C(O)=O, both match vice versa. Is that intended behaviour?
This happens with OBSmartsPattern and the new OBQuery matchers, regardless if the input was V2000 or SMILES and can be reproduced with the GUI. Matchmol with the -G option (check R/S stereo) treats them as distinct structures. best regards, Ernst-Georg Schmid ------------------------------------------------------------------------------ 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-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
