Pakiet: libindigo-java (1.2.3-3.1)

Odnośniki dla libindigo-java

Zasoby systemu Trisquel:

Pobieranie pakietu źródłowego indigo:

Opiekun:

Debichem Team (Archiwum e-mail)

Original Maintainers:

Debichem Team (Archiwum e-mail)
Michael Banck

Zasoby zewnętrzne:

Strona internetowa [lifescience.opensource.epam.com]

Podobne pakiety:

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.

Inne pakiety związane z libindigo-java

wymaga

poleca

sugeruje

dep: libindigo0d (>= 1.2.3-3.1)

Organic Chemistry Toolkit
dep: libjna-java

Dynamic access of native libraries from Java without JNI

Pobieranie libindigo-java

Pobierz dla wszystkich dostępnych architektur
Architektura	Rozmiar pakietu	Rozmiar po instalacji	Pliki
all	139,8 KiB	200 KiB	[lista plików]

Sections