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[ Quellcode: indigo  ]

Paket: libindigo0d (1.4.3-1)

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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 für alle verfügbaren Architekturen
Architektur Paketgröße Größe (installiert) Dateien
amd64 2.731,8 kB8.596,0 kB [Liste der Dateien]
arm64 2.217,2 kB8.192,0 kB [Liste der Dateien]
armhf 2.305,9 kB5.836,0 kB [Liste der Dateien]
i386 2.769,3 kB9.057,0 kB [Liste der Dateien]
ppc64el 2.561,3 kB9.920,0 kB [Liste der Dateien]
riscv64 2.630,0 kB6.868,0 kB [Liste der Dateien]
s390x 2.561,5 kB8.392,0 kB [Liste der Dateien]