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[ 原始碼: indigo  ]

套件:indigo-utils(1.2.3-3.1 以及其他的)

indigo-utils 的相關連結

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Debian 的資源:

下載原始碼套件 indigo

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外部的資源:

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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

  • 依賴
  • 推薦
  • 建議
  • 增強

下載 indigo-utils

下載可用於所有硬體架構的
硬體架構 版本 套件大小 安裝後大小 檔案
alpha (非官方移植版) 1.2.3-3.1 34。7 kB123。0 kB [檔案列表]
amd64 1.2.3-3.1 34。8 kB127。0 kB [檔案列表]
arm64 1.2.3-3.1 34。2 kB119。0 kB [檔案列表]
armel 1.2.3-3.1 33。2 kB108。0 kB [檔案列表]
armhf 1.2.3-3.1 33。3 kB104。0 kB [檔案列表]
i386 1.2.3-3.1 35。7 kB124。0 kB [檔案列表]
ia64 (非官方移植版) 1.2.3-3.1 38。1 kB141。0 kB [檔案列表]
m68k (非官方移植版) 1.2.3-3.1+b1 32。3 kB111。0 kB [檔案列表]
mips64el 1.2.3-3.1 33。8 kB117。0 kB [檔案列表]
ppc64 (非官方移植版) 1.2.3-3.1 36。2 kB261。0 kB [檔案列表]
ppc64el 1.2.3-3.1 37。5 kB259。0 kB [檔案列表]
riscv64 1.2.3-3.1+b1 33。6 kB114。0 kB [檔案列表]
s390x 1.2.3-3.1 33。9 kB115。0 kB [檔案列表]
sh4 (非官方移植版) 1.2.3-3.1+b1 34。8 kB255。0 kB [檔案列表]
sparc64 (非官方移植版) 1.2.3-3.1 33。5 kB127。0 kB [檔案列表]