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SMILES Toolkit

Daylight, Inc.

Programming environment supporting molecular objects and the SMILES language

http://www.daylight.com/products/smiles_kit.html

Summary Assembled by Curation Team

Software: Algorithm or Reusable Library
The SMILES Toolkit is a programming library which provides basic functions needed for chemical information processing. Molecules and molecular constituents (atoms, bonds, cycles) are treated as abstract objects and are operated on by polymorphic functions (e.g. create, copy, modify, enumerate, destroy, etc.). The SMILES Toolkit also supports a number of utility objects (streams, sequences, paths, substructs). Reactions are fully integrated into the SMILES toolkit and handled polymorphically by addition of the Reaction Toolkit license. This toolkit provides the most current SMILES language, a simplified yet comprehensive chemical nomenclature. A unique SMILES can be generated to be used as a lexical identifier. Version 4.x SMILES provides full support for organic, inorganic, isotopic, and general (not limited to tetrahedral) chiral specifications, including partially specified chirality. The SMILES Toolkit is the basis for all other Daylight 4.x Toolkits. It is written to be system- and language-independent, and makes full use of dynamic memory allocation. Wrappers are provided for C, C++, and Fortran compilers supplied with most Unix platforms. Wrappers for other languages are available by special request.
Development Stage	4 - Development with public userbase
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Last Updated on: May 01, 2006 Page hits 675, Clicks 352, Version (0)

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