[ Bron: indigo ]
Pakket: indigo-utils (1.2.3-1)
Verwijzigingen voor indigo-utils
Debian bronnen:
Het bronpakket indigo downloaden:
Beheerders:
Externe bronnen:
- Homepage [ggasoftware.com]
Vergelijkbare pakketten:
Organic Chemistry Toolkit Utilities
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 following utilities:
* indigo-depict: Molecule and reaction rendering utility * indigo-cano: Canonical SMILES generator * indigo-deco: R-Group deconvolution utility * chemdiff: Visual comparison of two SDF or SMILES files (needs the JAVA libraries)
Andere aan indigo-utils gerelateerde pakketten
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- dep: libc6 (>= 2.17) [arm64]
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb
- dep: libc6 (>= 2.7) [niet arm64]
-
- dep: libcairo2 (>= 1.2.4)
- Cairo 2D vector graphics library
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- dep: libgcc1 (>= 1:3.0)
- GCC support bibliotheek
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- dep: libindigo0d (>= 1.2.3)
- Organic Chemistry Toolkit
-
- dep: libpixman-1-0
- pixel-manipulation library for X and cairo
-
- dep: libpng16-16 (>= 1.6.2-1)
- PNG library - runtime (version 1.6)
-
- dep: libstdc++6 (>= 4.1.1)
- GNU Standard C++ Library v3
-
- dep: libtinyxml2.6.2v5
- C++ XML parsing library
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- dep: zlib1g (>= 1:1.1.4)
- compressiebibliotheek - programma's
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- rec: libindigo-java
- Organic Chemistry Toolkit (Java package)