Source: indigo Section: science Priority: extra Maintainer: Debichem Team Uploaders: Michael Banck Build-Depends: autotools-dev (>> 20100122.1~), cmake, debhelper (>= 7.0.50~), default-jdk, javahelper, libcairo2-dev, libfreetype6-dev, libjna-java, libpng-dev, libtinyxml-dev, python (>= 2.6.6-3~) Standards-Version: 3.9.5 Homepage: http://ggasoftware.com/opensource/indigo Vcs-Browser: https://salsa.debian.org/debichem-team/indigo Vcs-Git: https://salsa.debian.org/debichem-team/indigo.git Package: indigo-utils Architecture: any Depends: ${misc:Depends}, ${shlibs:Depends} Recommends: libindigo-java Description: 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) Package: libindigo0d Architecture: any Section: libs Depends: ${misc:Depends}, ${shlibs:Depends} Description: 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. Package: libindigo-dev Architecture: any Section: libdevel Depends: libindigo0d (= ${binary:Version}), ${misc:Depends}, ${shlibs:Depends} Description: 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. Package: python-indigo Architecture: all Section: python Depends: libindigo0d (>= ${source:Version}), ${misc:Depends}, ${python:Depends}, ${shlibs:Depends} Description: 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. Package: libindigo-java Architecture: all Section: java Depends: libindigo0d (>= ${source:Version}), ${java:Depends}, ${misc:Depends}, ${shlibs:Depends} Description: 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.