[ buster ]
[ ソース: indigo ]
パッケージ: python-indigo (1.2.3-1)
python-indigo に関するリンク
Debian の資源:
indigo ソースパッケージをダウンロード:
メンテナ:
外部の資源:
- ホームページ [ggasoftware.com]
類似のパッケージ:
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.
その他の python-indigo 関連パッケージ
|
|
|
|
-
- dep: libindigo0d (>= 1.2.3-1)
- Organic Chemistry Toolkit
-
- dep: python
- 対話式の高レベルオブジェクト指向言語 (Python2 バージョン)
- dep: python (<< 2.8)
- dep: python (>= 2.7)