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[ Fonte: indigo  ]

Pacote: libindigo-dev (1.2.3-3.1 e outros)

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Organic Chemistry Toolkit (development files)

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.

This package contains the static library and header files.

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Download de libindigo-dev

Baixe para todas as arquiteturas disponíveis
Arquitetura Versão Tamanho do pacote Tamanho instalado Arquivos
amd64 1.2.3-3.1 2,412.8 kB21,521.0 kB [lista de arquivos]
arm64 1.2.3-3.1+b1 2,289.1 kB21,197.0 kB [lista de arquivos]