From: Pavel K. <pko...@ma...> - 2006-12-05 06:30:42
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Hi, does JOElib (1 or 2) provide the oppotunity to generate/process (see http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html 3.1 Canonicalization) so called "absolute SMILES". Thank you very much. Pavel KOmardin PhD Student Lomonosov Moscow Institute of Fine Chemical Technology |