Difference between revisions of "SMARTS"

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* Use of non-tetrahedral chirality
 
* Use of non-tetrahedral chirality
  
This list may not be complete. Please e-mail the <a
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This list may not be complete. Please e-mail the [mailto:[email protected]|openbabel-discuss] mailing list if you have questions about the SMARTS support in Open Babel.
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mailing list if you have questions about the SMARTS support in Open Babel.
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[[Category:Formats]]
 
[[Category:Formats]]

Revision as of 10:34, 27 January 2006

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
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 [1] mailing list if you have questions about the SMARTS support in Open Babel.