软件包：indigo-utils（1.2.3-3.1）

[ 源代码： 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)

其他与 indigo-utils 有关的软件包

• dep: libc6 (>= 2.17) [arm64, ppc64el]

  GNU C 语言运行库：共享库
  同时作为一个虚包由这些包填实： libc6-udeb

  dep: libc6 (>= 2.7) [除 arm64, ppc64el]

• dep: libgcc-s1 (>= 3.5) [armel]

  GCC 支持库

• dep: libindigo0d (>= 1.2.3)

  Organic Chemistry Toolkit

• rec: libindigo-java

  Organic Chemistry Toolkit (Java package)

下载 indigo-utils

下载可用于所有硬件架构的

硬件架构	软件包大小	安装后大小	文件
amd64	34.8 kB	127.0 kB	[文件列表]
arm64	34.2 kB	119.0 kB	[文件列表]
armel	33.2 kB	108.0 kB	[文件列表]
armhf	33.3 kB	104.0 kB	[文件列表]
i386	35.7 kB	124.0 kB	[文件列表]
mips64el	33.8 kB	117.0 kB	[文件列表]
mipsel	33.6 kB	115.0 kB	[文件列表]
ppc64el	37.5 kB	259.0 kB	[文件列表]
s390x	33.9 kB	115.0 kB	[文件列表]