Tarkennettu haku
buster  ] [  bullseye  ] [  bookworm  ] [  trixie  ] [  sid  ]
[ Source: indigo  ]

Paketti: libindigo-java (1.2.3-3.1)

Links for libindigo-java

Screenshot

Debian-palvelut:

Imuroi lähdekoodipaketti indigo:

Ylläpitäjät:

External Resources:

Samankaltaisia paketteja:

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.

Muut pakettiin libindigo-java liittyvät paketit

  • depends
  • recommends
  • suggests
  • enhances

Imuroi libindigo-java

Imurointi kaikille saataville arkkitehtuureille
Arkkitehtuuri Paketin koko Koko asennettuna Tiedostot
all 142.0 kt200.0 kt [tiedostoluettelo]