Skip to content
Sections
>> Trisquel >> Пакети >> etiona >> science >> indigo-utils
etiona  ] [  nabia  ] [  aramo  ]
[ Източник: indigo  ]

Пакет: indigo-utils (1.1.12-2)

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: Molecule and reaction rendering utility
 * indigo-cano: Canonical SMILES generator
 * indigo-deco: R-Group deconvolution utility
 * chemdiff: Visual comparison of two SDF or SMILES files (needs the JAVA
   libraries)

Други пакети, свързани с indigo-utils

  • зависимости
  • препоръчани
  • предложени
  • dep: libc6 (>= 2.7)
    GNU C Library: Shared libraries
    също и виртуален пакет, предлаган от libc6-udeb
  • dep: libindigo0d (>= 1.1.12)
    Organic Chemistry Toolkit

Изтегляне на indigo-utils

Изтегляне за всички налични архитектури
Архитектура Големина на пакета Големина след инсталиране Файлове
amd64 31,8 кБ111 кБ [списък на файловете]
i386 32,7 кБ111 кБ [списък на файловете]