[ 原始碼： indigo ]
套件：python3-indigo（1.2.3-3.1）
python3-indigo 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 (Python module)
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 Python modules.
其他與 python3-indigo 有關的套件
|
|
|
|
-
- dep: libindigo0d (>= 1.2.3-3.1)
- Organic Chemistry Toolkit
-
- dep: python3
- interactive high-level object-oriented language (default python3 version)