Difference between revisions of "SMARTS"

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href="mailto:[email protected]">openbabel-discuss</a>
 
href="mailto:[email protected]">openbabel-discuss</a>
 
mailing list if you have questions about the SMARTS support in Open Babel.
 
mailing list if you have questions about the SMARTS support in Open Babel.
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[[Category:Formats]]

Revision as of 15:07, 26 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 <a href="mailto:[email protected]">openbabel-discuss</a> mailing list if you have questions about the SMARTS support in Open Babel.