[ Paquet source : indigo ]
Paquet : libindigo-java (1.2.3-1)
Liens pour libindigo-java
Ressources Debian :
- Rapports de bogues
- Developer Information
- Journal des modifications Debian
- Fichier de licence
- Suivis des correctifs pour Debian
Télécharger le paquet source indigo :
Responsables :
Ressources externes :
- Page d'accueil [ggasoftware.com]
Paquets similaires :
Organic Chemistry Toolkit (Java package)
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 Java packages.
Autres paquets associés à libindigo-java
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- dep: libindigo0d (>= 1.2.3-1)
- Organic Chemistry Toolkit
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- dep: libjna-java
- Dynamic access of native libraries from Java without JNI
Télécharger libindigo-java
Architecture | Taille du paquet | Espace occupé une fois installé | Fichiers |
---|---|---|---|
all | 141,7 ko | 199,0 ko | [liste des fichiers] |