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[ Bron: indigo  ]

Pakket: libindigo0d (1.2.3-3.1)

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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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Pakket downloaden voor alle beschikbare platforms
Platform Pakketgrootte Geïnstalleerde grootte Bestanden
amd64 2.304,4 kB7.349,0 kB [overzicht]
arm64 1.891,1 kB6.722,0 kB [overzicht]
armel 1.853,1 kB6.202,0 kB [overzicht]
armhf 1.903,0 kB4.646,0 kB [overzicht]
i386 2.329,3 kB7.676,0 kB [overzicht]
mips64el 1.761,7 kB8.452,0 kB [overzicht]
mipsel 1.739,8 kB8.076,0 kB [overzicht]
ppc64el 2.170,4 kB8.726,0 kB [overzicht]
s390x 1.980,6 kB7.218,0 kB [overzicht]