全部搜索项
jessie  ] [  stretch  ] [  buster  ] [  bullseye  ] [  sid  ]
[ 源代码: indigo  ]

软件包:libindigo-java(1.1.12-2)

libindigo-java 的相关链接

Screenshot

Debian 的资源:

下载源码包 indigo

维护小组:

外部的资源:

相似软件包:

Organic Chemistry Toolkit (Java package)

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 Java packages.

其他与 libindigo-java 有关的软件包

  • 依赖
  • 推荐
  • 建议
  • 增强

下载 libindigo-java

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
all 136.8 kB195.0 kB [文件列表]