Macs in Chemistry

Insanely Great Science

Added Indgo to application listings

  • Indigo is an organic chemistry toolkit. The code base is shared among the projects. All of the tools are written in C++, while a number of C# and Java wrappers are available.
  • Bingo: Cartridge for Oracle database supporting a wide range of searches in organic chemistry databases. Absolute portability, great scalability, plus unique features like:

    • Resonance substructure search

    • Tautomer substructure search with user-defined rules

    • Canonical (absolute) SMILES computation

    • Fast table update with no need to rebuild the index

    • Multi-threaded table indexing

  • Dingo: Molecule and reaction rendering library with C# wrapper and command-line utility. Best picture quality among all available products. Excellent portability. Easy SVG support. Automatic layout for SMILES-represented molecules and reactions.

  • Cano: Canonical SMILES computation library with C# wrapper. Unique support of tetrahedral and cis-trans stereochemistry features.

  • Deco: R-Group deconvolution and scaffold detection library and command-line utility. Pioneer work in computing the exact maximum common substructure of arbitrary amount of input structures.

  • Nucleo: Nucleotide chain handling library with Java wrapper. Includes canonical SMILES computation.

blog comments powered by Disqus