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Source: indigo
Section: science
Priority: extra
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
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: http://anonscm.debian.org/viewvc/debichem/unstable/indigo/
Vcs-Svn: svn://anonscm.debian.org/debichem/unstable/indigo/
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.
|
