[ 原始碼： indigo ]
套件： libindigo-dev (1.2.3-3build1)
libindigo-dev 的相關超連結
Trisquel 的資源：
下載原始碼套件 indigo：
維護者：
Original Maintainers:
- Debichem Team (郵件存檔)
- Michael Banck
外部的資源：
- 主頁 [lifescience.opensource.epam.com]
相似套件：
Organic Chemistry Toolkit (development files)
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 static library and header files.