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[ Bron: indigo  ]

Pakket: libindigo0d (1.2.3-4 en anderen)

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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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libindigo0d downloaden

Pakket downloaden voor alle beschikbare platforms
Platform Versie Pakketgrootte Geïnstalleerde grootte Bestanden
alpha (unofficial port) 1.2.3-4 2.096,5 kB8.862,0 kB [overzicht]
amd64 1.2.3-4 2.430,6 kB7.711,0 kB [overzicht]
arm64 1.2.3-4 1.962,0 kB7.380,0 kB [overzicht]
armel 1.2.3-4 1.981,6 kB6.924,0 kB [overzicht]
armhf 1.2.3-4 2.027,8 kB5.132,0 kB [overzicht]
i386 1.2.3-4 2.425,3 kB7.946,0 kB [overzicht]
ia64 (unofficial port) 1.2.3-3.1 2.672,7 kB15.949,0 kB [overzicht]
loong64 (unofficial port) 1.2.3-4 2.132,1 kB7.636,0 kB [overzicht]
m68k (unofficial port) 1.2.3-4 2.133,3 kB7.656,0 kB [overzicht]
mips64el 1.2.3-4 1.843,3 kB8.722,0 kB [overzicht]
ppc64 (unofficial port) 1.2.3-4 2.227,2 kB9.471,0 kB [overzicht]
ppc64el 1.2.3-4 2.275,8 kB8.916,0 kB [overzicht]
riscv64 1.2.3-4 2.320,9 kB6.200,0 kB [overzicht]
s390x 1.2.3-4 2.282,0 kB7.548,0 kB [overzicht]
sh4 (unofficial port) 1.2.3-4 2.566,6 kB7.498,0 kB [overzicht]
sparc64 (unofficial port) 1.2.3-4 1.814,6 kB8.418,0 kB [overzicht]