[ 原始碼： indigo ]
套件：indigo-utils（1.2.3-3.1）
indigo-utils 的相關連結
Debian 的資源：
下載原始碼套件 indigo：
維護小組：
外部的資源：
- 主頁 [lifescience.opensource.epam.com]
相似套件：
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)
其他與 indigo-utils 有關的套件
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- dep: libc6 (>= 2.7)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libindigo0d (>= 1.2.3)
- Organic Chemistry Toolkit
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- rec: libindigo-java
- Organic Chemistry Toolkit (Java package)