Ubuntu
indigo package

indigo 1.2.3-3 source package in Ubuntu

Changelog

indigo (1.2.3-3) unstable; urgency=medium

  * No-change source-only upload.

 -- Stuart Prescott <email address hidden>  Fri, 17 Jan 2020 16:54:17 +1100

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section

Downloads

File Size SHA-256 Checksum
indigo_1.2.3-3.dsc 2.2 KiB c708736894b5c79e15d395c05b220b8114da9b7bffee4b65490498597c0ee8d0
indigo_1.2.3.orig.tar.gz 5.4 MiB 9b8f0f2a590a13b743500410fb8dfe6253b67b644945f48d888de29aeee5fccd
indigo_1.2.3-3.debian.tar.xz 21.0 KiB 173427558547f5af0100133bce456c74acfca3d1394d9ef00312f19a167553d6

Available diffs

No changes file available.

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.