Paket: libindigo-dev (1.2.3-3.1) [debports]

[ Quellcode:  ]

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.

Andere Pakete mit Bezug zu libindigo-dev

• dep: libindigo0d (= 1.2.3-3.1)

  Organic Chemistry Toolkit

libindigo-dev herunterladen

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Architektur	Paketgröße	Größe (installiert)	Dateien
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