Re: [Open Babel] Atom hybridization matching

2010-03-24 Thread Nina Jeliazkova
Geoffrey Hutchison wrote: >> We are looking to pointers/examples, explaining atom hybridization matching >> "^" , implemented in OpenBabel . Is there additional information to the one >> found at http://openbabel.org/wiki/SMARTS page? >> > > I suspect your question is "how do you determine

Re: [Open Babel] Atom hybridization matching

2010-03-24 Thread Geoffrey Hutchison
> We are looking to pointers/examples, explaining atom hybridization matching > "^" , implemented in OpenBabel . Is there additional information to the one > found at http://openbabel.org/wiki/SMARTS page? I suspect your question is "how do you determine hybridization?" The rules are given in

[Open Babel] Atom hybridization matching

2010-03-23 Thread Nina Jeliazkova
Dear All, We are looking to pointers/examples, explaining atom hybridization matching "^" , implemented in OpenBabel . Is there additional information to the one found at http://openbabel.org/wiki/SMARTS page? In addition to the Daylight Toolkit syntax, Open Babel also offers the followi