libindigo0d 1.2.3-3build1 (armhf binary) in ubuntu groovy
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.
Details
- Package version:
- 1.2.3-3build1
- Status:
- Superseded
- Component:
- universe
- Priority:
- Extra
Downloadable files
- libindigo0d_1.2.3-3build1_armhf.deb (2.0 MiB)