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indigo package

indigo 1.2.3-3.1build1 source package in Ubuntu

Changelog

indigo (1.2.3-3.1build1) noble; urgency=high

  * No change rebuild against frame pointers and time_t.

 -- Julian Andres Klode <email address hidden>  Mon, 22 Apr 2024 11:42:55 +0200

Upload details

Uploaded by:
Julian Andres Klode
Uploaded to:
Noble
Original maintainer:
Ubuntu Developers
Architectures:
any all
Section:
science
Urgency:
Very Urgent

See full publishing history Publishing

Series Pocket Published Component Section
Oracular release universe science
Noble release universe science

Downloads

File Size SHA-256 Checksum
indigo_1.2.3.orig.tar.gz 5.4 MiB 9b8f0f2a590a13b743500410fb8dfe6253b67b644945f48d888de29aeee5fccd
indigo_1.2.3-3.1build1.debian.tar.xz 21.5 KiB 835b9a80bcd6d5d69b95ed1494d30ed933089ad03e2ca904e1c4f9d9918f12a5
indigo_1.2.3-3.1build1.dsc 2.4 KiB 7ff7f067edd3f3235cd929d92c48fe3d83091d8909b12f63518e1c92ad0b4ed2

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Binary packages built by this source

indigo-utils: 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)

indigo-utils-dbgsym: debug symbols for indigo-utils
libindigo-dev: Organic Chemistry Toolkit (development files)

 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 static library and header files.

libindigo-java: 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.

libindigo0d: Organic Chemistry Toolkit

 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.

libindigo0d-dbgsym: debug symbols for libindigo0d
python3-indigo: Organic Chemistry Toolkit (Python module)

 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 Python modules.