SMARTS
From Open Babel
The SMARTS format is a language for matching substructures of chemical files and was created by Daylight Chemical Information Systems, Inc. alongside the SMILES format.
Specification URL | http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html |
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Examples | http://www.daylight.com/dayhtml_tutorials/languages/smarts/smarts_examples.html |
Limitations of the Open Babel SMARTS Implementation
The Open Babel implementation of SMARTS is not bug-free, nor does it support everything in the Daylight Toolkit. In particular, it does not currently support:
- Component-level grouping (i.e., "(C).(C)")
- Use of non-tetrahedral chirality
This list may not be complete. Please e-mail the <a href="mailto:[email protected]">openbabel-discuss</a> mailing list if you have questions about the SMARTS support in Open Babel.