[ Source: indigo ]
Пакунок: libindigo-java (1.2.3-3.1)
Links for libindigo-java
Debian Resources:
Download Source Package indigo:
Maintainers:
External Resources:
- Homepage [lifescience.opensource.epam.com]
Similar packages:
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.
Інші пакунки пов'язані з libindigo-java
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- dep: libindigo0d (>= 1.2.3-3.1)
- Organic Chemistry Toolkit
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- dep: libjna-java
- Динамічний доступ рідних бібліотек Java без JNI
Завантажити libindigo-java
Архітектура | Розмір пакунка | Розмір після встановлення | Файли |
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all | 142.0 kB | 200.0 kB | [список файлів] |