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[ Source: indigo  ]

Package: indigo-utils (1.0.0-2 and others)

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Organic Chemistry Toolkit Utilities

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 following utilities:

 * indigo-depict
 * indigo-cano
 * indigo-deco
 * chemdiff

Other Packages Related to indigo-utils

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Download indigo-utils

Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha (unofficial port) 1.0.0-2 33.1 kB129.0 kB [list of files]
amd64 1.0.0-2 32.5 kB119.0 kB [list of files]
armel 1.0.0-2 32.5 kB112.0 kB [list of files]
armhf 1.0.0-2 30.9 kB107.0 kB [list of files]
i386 1.0.0-2 31.8 kB113.0 kB [list of files]
ia64 1.0.0-2 39.5 kB129.0 kB [list of files]
mips 1.0.0-2 30.9 kB116.0 kB [list of files]
mipsel 1.0.0-2 31.0 kB116.0 kB [list of files]
powerpc 1.0.0-2 31.3 kB115.0 kB [list of files]
powerpcspe (unofficial port) 1.0.0-2 30.7 kB112.0 kB [list of files]
s390 1.0.0-2 32.9 kB116.0 kB [list of files]
s390x 1.0.0-2 33.6 kB125.0 kB [list of files]
sh4 (unofficial port) 1.0.0-1 32.6 kB114.0 kB [list of files]
sparc 1.0.0-2 30.3 kB113.0 kB [list of files]