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 following extensions to SMARTS which are not currently supported
by Daylight:
o Atom hybridization matching "^". For example [#6^3] matches
a carbon atom (atomic number 6) with sp3 hybridization.
Accepted hybridizations include:
+ 1 - sp e.g., [#6^1][#7]
+ 2 - sp2 e.g., [#6^2][#6^2]
+ 3 - sp3 e.g., [#8^3]
Best regards,
Nina Jeliazkova
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