I know radicals are not fully supported (correct valence is available only in the developer version), and I don't really know if I should fill a bug report or add a request for future release. My question: shouldn't the connectivity (in SMARTS X) be, by definition, lower than or equal to the valence? The way I understand connectivity is "count the number of bonds around an atom, regardless the type of bond". Am I wrong? Any hint on why any carbon radical is recognized with a connectivity equal to the one of its parent molecule? Is it right? Here my very small set of tests
obabel -:C[CH2] -ocan -s [CX4v3] C[CH2] 1 molecule converted obabel -:C=[C]-C -ocan -s [CX3v3] C[C]=C 1 molecule converted obabel -:C#[C] -ocan -s [CX2v3] C#[C] 1 molecule converted There might be something I am missing or misunderstanding, but it seems to me that the connectivity is calculated based on the implicit hidrogens, also on the radical site (where it shouldn't) Thank you for the help, Samuele ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
