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[ 原始碼: indigo  ]

套件:libindigo0d(1.2.3-3.1)

libindigo0d 的相關連結

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下載原始碼套件 indigo

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Organic Chemistry Toolkit

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.

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下載 libindigo0d

下載可用於所有硬體架構的
硬體架構 套件大小 安裝後大小 檔案
amd64 2,304。4 kB7,349。0 kB [檔案列表]
arm64 1,891。1 kB6,722。0 kB [檔案列表]
armel 1,853。1 kB6,202。0 kB [檔案列表]
armhf 1,903。0 kB4,646。0 kB [檔案列表]
i386 2,329。3 kB7,676。0 kB [檔案列表]
mips64el 1,761。7 kB8,452。0 kB [檔案列表]
mipsel 1,739。8 kB8,076。0 kB [檔案列表]
ppc64el 2,170。4 kB8,726。0 kB [檔案列表]
s390x 1,980。6 kB7,218。0 kB [檔案列表]