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Frowns


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OS: Linux, ...

License: Freeware





Features:

Smiles parser
Smarts substructure searching
SD file parser with SD field manipulations
Depiction for SD files with coordinates
Molecule Fingerprint generation
Several forms of Ring Detection available
Simple aromaticity perception
Everything's a graph (i.e. can form canonical strings from incomplete pieces of a molecule)
Full source code
Really bad depiction of arbitray molecules! (requires AT&T's GraphViz)

http://frowns.sourceforge.net/



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