Package: libindigo0d (1.2.3-3.1) [debports]
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- Homepage [lifescience.opensource.epam.com]
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Organic Chemistry Toolkit
Indigo is a C++ based organic chemistry and cheminformatics software environment. Features Include:
* Molecule and reaction rendering including SVG support * Automatic layout for SMILES-represented molecules and reactions * Canonical (isomeric) SMILES computation * Exact matching, substructure matching, SMARTS matching * Matching of tautomers and resonance structures * Molecule fingerprinting, molecule similarity computation * Fast enumeration of SSSR rings, subtrees, and edge sugraphs * Molecular weight, molecular formula computation * R-Group deconvolution and scaffold detection * Computation of the exact maximum common substructure for an arbitrary amount of input structures * Combinatorial chemistry * Plugin support in the API
File formats Indigo support include MDL Mol, SDF, RDF, CML, SMILES and SMARTS.
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Download libindigo0d
Architecture | Package Size | Installed Size | Files |
---|---|---|---|
alpha (unofficial port) | 2,166.1 kB | 9,072.0 kB | [list of files] |