indigo-utils binary package in Ubuntu Xenial powerpc
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)
Publishing history
Date | Status | Target | Component | Section | Priority | Phased updates | Version | ||
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2016-01-28 00:29:51 UTC | Published | Ubuntu Xenial powerpc | release | universe | science | Extra | 1.1.12-1.1 | ||
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Deleted | Ubuntu Xenial powerpc | proposed | universe | science | Extra | 1.1.12-1.1 | |||
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2016-01-28 00:31:47 UTC | Superseded | Ubuntu Xenial powerpc | release | universe | science | Extra | 1.1.12-1build1 | ||
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