Paketti: indigo-utils (1.2.3-1)

[ Source: indigo  ]

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)

Muut pakettiin indigo-utils liittyvät paketit

• dep: libc6 (>= 2.17)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6-udeb

• dep: libcairo2 (>= 1.2.4)

  Cairo 2D vector graphics library

• dep: libgcc1 (>= 1:3.0)

  GCC:n apukirjasto

• dep: libindigo0d (>= 1.2.3)

  Organic Chemistry Toolkit

• dep: libpixman-1-0

  pixel-manipulation library for X and cairo

• dep: libpng16-16 (>= 1.6.2-1)

  PNG library - runtime (version 1.6)

• dep: libstdc++6 (>= 4.1.1)

  GNU standardi C++ -kirjasto, versio 3

• dep: libtinyxml2.6.2v5

  C++ XML parsing library

• dep: zlib1g (>= 1:1.1.4)

  pakkauskirjaston ajonaikaistiedostot

• rec: libindigo-java

  Organic Chemistry Toolkit (Java package)

Imuroi indigo-utils

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
arm64	34.0 kt	118.0 kt	[tiedostoluettelo]