[ 原始碼： indigo ]
套件：indigo-utils（1.2.3-1）
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: libcairo2 (>= 1.2.4)
- Cairo 2D vector graphics library
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- dep: libgcc1 (>= 1:3.0)
- GCC 支援函式庫
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- dep: libindigo0d (>= 1.2.3)
- Organic Chemistry Toolkit
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- dep: libpixman-1-0
- pixel-manipulation library for X and cairo
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- dep: libpng16-16 (>= 1.6.2-1)
- PNG library - runtime (version 1.6)
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- dep: libstdc++6 (>= 4.1.1)
- GNU Standard C++ Library v3
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- dep: libtinyxml2.6.2v5
- C++ XML parsing library
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- dep: zlib1g (>= 1:1.1.4)
- 壓縮函式庫 - 跑程式時用(runtime)
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- rec: libindigo-java
- Organic Chemistry Toolkit (Java package)