1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
|
Source: indigo
Section: science
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>,
Andrius Merkys <merkys@debian.org>
Build-Depends: cmake,
debhelper-compat (= 12),
default-jdk,
dh-python,
javahelper,
junit5,
libcairo2-dev,
libfreetype-dev,
libinchi-dev,
libjna-java,
libpng-dev,
libtinyxml-dev,
python3,
Standards-Version: 4.4.1
Homepage: https://lifescience.opensource.epam.com/indigo/index.html
Vcs-Browser: https://salsa.debian.org/debichem-team/indigo
Vcs-Git: https://salsa.debian.org/debichem-team/indigo.git
Rules-Requires-Root: no
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: libbingo0d
Architecture: any
Section: libs
Depends: ${misc:Depends}, ${shlibs:Depends}
Description: Organic Chemistry Toolkit (bingo shared library)
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 includes the shared library for bingo.
Package: libbingo-dev
Architecture: any
Section: libdevel
Depends: libbingo0d (= ${binary:Version}), ${misc:Depends}, ${shlibs:Depends}
Description: Organic Chemistry Toolkit (bingo 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 bingo static library and development files.
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: python3-indigo
Architecture: all
Section: python
Depends: libindigo0d (>= ${source:Version}),
${misc:Depends},
${python3: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.
|
