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[ Источник: indigo  ]

Пакет: libindigo0d (1.1.12-2)

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.

Другие пакеты, относящиеся к libindigo0d

  • зависимости
  • рекомендации
  • предложения
  • dep: libc6 (>= 2.4)
    GNU C Library: Shared libraries
    также виртуальный пакет, предоставляемый libc6-udeb
  • dep: libcairo2 (>= 1.6.0)
    Cairo 2D vector graphics library
  • dep: libgcc1 (>= 1:4.2)
    GCC support library
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: libtinyxml2.6.2v5
    C++ XML parsing library
  • dep: zlib1g (>= 1:1.1.4)
    compression library - runtime

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