frowns 0.9a review (linux)

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Frowns is a chemoinformatics toolkit geared toward rapid development of chemistry related algorithms

License: Python License
OS: Linux
File size: 0K
Developer: wc2so1      
Price: $0.00
User Rating:  
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frowns 0.9a is chemistry software developed by wc2so1.
Frowns is a chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. It is written in almost 100% Python with a small portion written in C++.

Frowns is loosely based on the PyDaylight API that Andrew Dalke wrote to wrap the daylight C API. In some cases programs written using PyDaylight will also work under Frowns with a few minor changes.

Here are some key features of "frowns":

  • 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)


    Limitations:
  • Recursive Smarts searches (coming soon!)
  • Stereochemistry (this actually exists but Frowns’ can’t canonicalize stereochemistry yet)


    Requirements:
  • Python 2.2
  • vflib
    frowns 0.9a supports english interface languages and works with Linux.

    Downloading frowns 0.9a will take if you use fast ADSL connection.


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