rdkit-doc 201503-3 / usr / share / doc / rdkit / html / index.html

This file is indexed.

/usr/share/doc/rdkit/html/index.html is in rdkit-doc 201503-3.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

  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
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN"
  "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">


<html xmlns="http://www.w3.org/1999/xhtml">
  <head>
    <meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
    
    <title>The RDKit Documentation &mdash; The RDKit 2015.03.1 documentation</title>
    
    <link rel="stylesheet" href="_static/sphinxdoc.css" type="text/css" />
    <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
    
    <script type="text/javascript">
      var DOCUMENTATION_OPTIONS = {
        URL_ROOT:    './',
        VERSION:     '2015.03.1',
        COLLAPSE_INDEX: false,
        FILE_SUFFIX: '.html',
        HAS_SOURCE:  true
      };
    </script>
    <script type="text/javascript" src="_static/jquery.js"></script>
    <script type="text/javascript" src="_static/underscore.js"></script>
    <script type="text/javascript" src="_static/doctools.js"></script>
    <link rel="top" title="The RDKit 2015.03.1 documentation" href="#" />
    <link rel="next" title="An overview of the RDKit" href="Overview.html" /> 
  </head>
  <body>
    <div class="related">
      <h3>Navigation</h3>
      <ul>
        <li class="right" style="margin-right: 10px">
          <a href="genindex.html" title="General Index"
             accesskey="I">index</a></li>
        <li class="right" >
          <a href="Overview.html" title="An overview of the RDKit"
             accesskey="N">next</a> |</li>
        <li><a href="#">The RDKit 2015.03.1 documentation</a> &raquo;</li> 
      </ul>
    </div>
      <div class="sphinxsidebar">
        <div class="sphinxsidebarwrapper">
            <p class="logo"><a href="#">
              <img class="logo" src="_static/logo.png" alt="Logo"/>
            </a></p>
<h3><a href="#">Table Of Contents</a></h3>
<ul>
<li class="toctree-l1"><a class="reference internal" href="Overview.html">An overview of the RDKit</a></li>
<li class="toctree-l1"><a class="reference internal" href="Install.html">Installation</a></li>
<li class="toctree-l1"><a class="reference internal" href="GettingStartedInPython.html">Getting Started with the RDKit in Python</a></li>
<li class="toctree-l1"><a class="reference internal" href="RDKit_Book.html">The RDKit Book</a></li>
<li class="toctree-l1"><a class="reference internal" href="Cookbook.html">RDKit Cookbook</a></li>
<li class="toctree-l1"><a class="reference internal" href="Cartridge.html">The RDKit database cartridge</a></li>
</ul>

  <h4>Next topic</h4>
  <p class="topless"><a href="Overview.html"
                        title="next chapter">An overview of the RDKit</a></p>
  <h3>This Page</h3>
  <ul class="this-page-menu">
    <li><a href="_sources/index.txt"
           rel="nofollow">Show Source</a></li>
  </ul>
        </div>
      </div>

    <div class="document">
      <div class="documentwrapper">
        <div class="bodywrapper">
          <div class="body">
            
  <div class="section" id="the-rdkit-documentation">
<h1>The RDKit Documentation<a class="headerlink" href="#the-rdkit-documentation" title="Permalink to this headline"></a></h1>
<div class="toctree-wrapper compound">
<ul>
<li class="toctree-l1"><a class="reference internal" href="Overview.html">An overview of the RDKit</a><ul>
<li class="toctree-l2"><a class="reference internal" href="Overview.html#what-is-it">What is it?</a></li>
<li class="toctree-l2"><a class="reference internal" href="Overview.html#functionality-overview">Functionality overview</a></li>
<li class="toctree-l2"><a class="reference internal" href="Overview.html#the-contrib-directory">The Contrib Directory</a></li>
<li class="toctree-l2"><a class="reference internal" href="Overview.html#license">License</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="Install.html">Installation</a><ul>
<li class="toctree-l2"><a class="reference internal" href="Install.html#linux-and-the-mac">Linux and the Mac</a><ul>
<li class="toctree-l3"><a class="reference internal" href="Install.html#installation-from-repositories">Installation from repositories</a><ul>
<li class="toctree-l4"><a class="reference internal" href="Install.html#ubuntu-12-04-and-later">Ubuntu 12.04 and later</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#fedora-centos-and-rhel">Fedora, CentOS, and RHEL</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#macos">MacOS</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="Install.html#building-from-source">Building from Source</a><ul>
<li class="toctree-l4"><a class="reference internal" href="Install.html#prerequisites">Prerequisites</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#building-the-rdkit">Building the RDKit</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#testing-the-build-optional-but-recommended">Testing the build (optional, but recommended)</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#advanced">Advanced</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#frequently-encountered-problems">Frequently Encountered Problems</a></li>
</ul>
</li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="Install.html#windows">Windows</a><ul>
<li class="toctree-l3"><a class="reference internal" href="Install.html#id1">Prerequisites</a><ul>
<li class="toctree-l4"><a class="reference internal" href="Install.html#recommended-extras">Recommended extras</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="Install.html#installation-of-rdkit-binaries">Installation of RDKit binaries</a></li>
<li class="toctree-l3"><a class="reference internal" href="Install.html#installation-from-source">Installation from source</a><ul>
<li class="toctree-l4"><a class="reference internal" href="Install.html#extra-software-to-install">Extra software to install</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#setup-and-preparation">Setup and Preparation</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#building-from-the-command-line-recommended">Building from the command line (recommended)</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#building-the-code-using-guis-not-recommended">Building the Code Using GUIs (not recommended)</a></li>
<li class="toctree-l4"><a class="reference internal" href="Install.html#id2">Testing the Build (optional, but recommended)</a></li>
</ul>
</li>
</ul>
</li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="GettingStartedInPython.html">Getting Started with the RDKit in Python</a><ul>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#what-is-this">What is this?</a></li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#reading-and-writing-molecules">Reading and Writing Molecules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#reading-single-molecules">Reading single molecules</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#reading-sets-of-molecules">Reading sets of molecules</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#writing-molecules">Writing molecules</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#writing-sets-of-molecules">Writing sets of molecules</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#working-with-molecules">Working with Molecules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#looping-over-atoms-and-bonds">Looping over Atoms and Bonds</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#ring-information">Ring Information</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#modifying-molecules">Modifying molecules</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#working-with-2d-molecules-generating-depictions">Working with 2D molecules: Generating Depictions</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#working-with-3d-molecules">Working with 3D Molecules</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#preserving-molecules">Preserving Molecules</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#drawing-molecules">Drawing Molecules</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#substructure-searching">Substructure Searching</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#stereochemistry-in-substructure-matches">Stereochemistry in substructure matches</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#chemical-transformations">Chemical Transformations</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#substructure-based-transformations">Substructure-based transformations</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#murcko-decomposition">Murcko Decomposition</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#maximum-common-substructure">Maximum Common Substructure</a></li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#fingerprinting-and-molecular-similarity">Fingerprinting and Molecular Similarity</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#topological-fingerprints">Topological Fingerprints</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#maccs-keys">MACCS Keys</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#atom-pairs-and-topological-torsions">Atom Pairs and Topological Torsions</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#morgan-fingerprints-circular-fingerprints">Morgan Fingerprints (Circular Fingerprints)</a><ul>
<li class="toctree-l4"><a class="reference internal" href="GettingStartedInPython.html#explaining-bits-from-morgan-fingerprints">Explaining bits from Morgan Fingerprints</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#picking-diverse-molecules-using-fingerprints">Picking Diverse Molecules Using Fingerprints</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#generating-similarity-maps-using-fingerprints">Generating Similarity Maps Using Fingerprints</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#descriptor-calculation">Descriptor Calculation</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#visualization-of-descriptors">Visualization of Descriptors</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#chemical-reactions">Chemical Reactions</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#advanced-reaction-functionality">Advanced Reaction Functionality</a><ul>
<li class="toctree-l4"><a class="reference internal" href="GettingStartedInPython.html#protecting-atoms">Protecting Atoms</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#recap-implementation">Recap Implementation</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#brics-implementation">BRICS Implementation</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#other-fragmentation-approaches">Other fragmentation approaches</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#chemical-features-and-pharmacophores">Chemical Features and Pharmacophores</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#chemical-features">Chemical Features</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#d-pharmacophore-fingerprints">2D Pharmacophore Fingerprints</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#molecular-fragments">Molecular Fragments</a></li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#non-chemical-functionality">Non-Chemical Functionality</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#bit-vectors">Bit vectors</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#discrete-value-vectors">Discrete value vectors</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#d-grids">3D grids</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#points">Points</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#getting-help">Getting Help</a></li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#advanced-topics-warnings">Advanced Topics/Warnings</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#editing-molecules">Editing Molecules</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#miscellaneous-tips-and-hints">Miscellaneous Tips and Hints</a><ul>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#chem-vs-allchem">Chem vs AllChem</a></li>
<li class="toctree-l3"><a class="reference internal" href="GettingStartedInPython.html#the-sssr-problem">The SSSR Problem</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#list-of-available-descriptors">List of Available Descriptors</a></li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#list-of-available-fingerprints">List of Available Fingerprints</a></li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#feature-definitions-used-in-the-morgan-fingerprints">Feature Definitions Used in the Morgan Fingerprints</a></li>
<li class="toctree-l2"><a class="reference internal" href="GettingStartedInPython.html#license">License</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="RDKit_Book.html">The RDKit Book</a><ul>
<li class="toctree-l2"><a class="reference internal" href="RDKit_Book.html#misc-cheminformatics-topics">Misc Cheminformatics Topics</a><ul>
<li class="toctree-l3"><a class="reference internal" href="RDKit_Book.html#aromaticity">Aromaticity</a></li>
<li class="toctree-l3"><a class="reference internal" href="RDKit_Book.html#ring-finding-and-sssr">Ring Finding and SSSR</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="RDKit_Book.html#chemical-reaction-handling">Chemical Reaction Handling</a><ul>
<li class="toctree-l3"><a class="reference internal" href="RDKit_Book.html#reaction-smarts">Reaction SMARTS</a><ul>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#some-features">Some features</a></li>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#chirality">Chirality</a></li>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#rules-and-caveats">Rules and caveats</a></li>
</ul>
</li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="RDKit_Book.html#the-feature-definition-file-format">The Feature Definition File Format</a><ul>
<li class="toctree-l3"><a class="reference internal" href="RDKit_Book.html#chemical-features">Chemical Features</a></li>
<li class="toctree-l3"><a class="reference internal" href="RDKit_Book.html#syntax-of-the-fdef-file">Syntax of the FDef file</a><ul>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#atomtype-definitions">AtomType definitions</a></li>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#feature-definitions">Feature definitions</a></li>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#additional-syntax-notes">Additional syntax notes:</a></li>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#atom-weights-and-feature-locations">Atom weights and feature locations</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="RDKit_Book.html#frequently-asked-question-s">Frequently Asked Question(s)</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="RDKit_Book.html#representation-of-pharmacophore-fingerprints">Representation of Pharmacophore Fingerprints</a></li>
<li class="toctree-l2"><a class="reference internal" href="RDKit_Book.html#atom-atom-matching-in-substructure-queries">Atom-Atom Matching in Substructure Queries</a></li>
<li class="toctree-l2"><a class="reference internal" href="RDKit_Book.html#implementation-details">Implementation Details</a><ul>
<li class="toctree-l3"><a class="reference internal" href="RDKit_Book.html#magic-property-values">&#8220;Magic&#8221; Property Values</a><ul>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#romol-mol-in-python">ROMol  (Mol in Python)</a></li>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#atom">Atom</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="RDKit_Book.html#thread-safety-and-the-rdkit">Thread safety and the RDKit</a><ul>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#what-has-been-tested">What has been tested</a></li>
<li class="toctree-l4"><a class="reference internal" href="RDKit_Book.html#known-problems">Known Problems</a></li>
</ul>
</li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="RDKit_Book.html#license">License</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="Cookbook.html">RDKit Cookbook</a><ul>
<li class="toctree-l2"><a class="reference internal" href="Cookbook.html#what-is-this">What is this?</a></li>
<li class="toctree-l2"><a class="reference internal" href="Cookbook.html#miscellaneous-topics">Miscellaneous Topics</a><ul>
<li class="toctree-l3"><a class="reference internal" href="Cookbook.html#using-a-different-aromaticity-model">Using a different aromaticity model</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="Cookbook.html#manipulating-molecules">Manipulating Molecules</a><ul>
<li class="toctree-l3"><a class="reference internal" href="Cookbook.html#cleaning-up-heterocycles">Cleaning up heterocycles</a></li>
<li class="toctree-l3"><a class="reference internal" href="Cookbook.html#parallel-conformation-generation">Parallel conformation generation</a></li>
<li class="toctree-l3"><a class="reference internal" href="Cookbook.html#neutralizing-charged-molecules">Neutralizing Charged Molecules</a></li>
<li class="toctree-l3"><a class="reference internal" href="Cookbook.html#d-functionality-in-the-rdkit">3D functionality in the RDKit</a></li>
<li class="toctree-l3"><a class="reference internal" href="Cookbook.html#using-scikit-learn-with-rdkit">Using scikit-learn with RDKit</a></li>
<li class="toctree-l3"><a class="reference internal" href="Cookbook.html#using-custom-mcs-atom-types">Using custom MCS atom types</a></li>
<li class="toctree-l3"><a class="reference internal" href="Cookbook.html#clustering-molecules">Clustering molecules</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="Cookbook.html#license">License</a></li>
</ul>
</li>
<li class="toctree-l1"><a class="reference internal" href="Cartridge.html">The RDKit database cartridge</a><ul>
<li class="toctree-l2"><a class="reference internal" href="Cartridge.html#what-is-this">What is this?</a></li>
<li class="toctree-l2"><a class="reference internal" href="Cartridge.html#tutorial">Tutorial</a><ul>
<li class="toctree-l3"><a class="reference internal" href="Cartridge.html#introduction">Introduction</a></li>
<li class="toctree-l3"><a class="reference internal" href="Cartridge.html#creating-databases">Creating databases</a><ul>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#configuration">Configuration</a></li>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#creating-a-database-from-a-file">Creating a database from a file</a></li>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#loading-chembl">Loading ChEMBL</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="Cartridge.html#substructure-searches">Substructure searches</a><ul>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#smarts-based-queries">SMARTS-based queries</a></li>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#using-stereochemistry">Using Stereochemistry</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="Cartridge.html#similarity-searches">Similarity searches</a><ul>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#adjusting-the-similarity-cutoff">Adjusting the similarity cutoff</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="Cartridge.html#using-the-mcs-code">Using the MCS code</a></li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="Cartridge.html#reference-guide">Reference Guide</a><ul>
<li class="toctree-l3"><a class="reference internal" href="Cartridge.html#new-types">New Types</a></li>
<li class="toctree-l3"><a class="reference internal" href="Cartridge.html#parameters">Parameters</a></li>
<li class="toctree-l3"><a class="reference internal" href="Cartridge.html#operators">Operators</a><ul>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#similarity-search">Similarity search</a></li>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#substructure-and-exact-structure-search">Substructure and exact structure search</a></li>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#molecule-comparison">Molecule comparison</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="Cartridge.html#functions">Functions</a><ul>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#fingerprint-related">Fingerprint Related</a></li>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#molecule-related">Molecule Related</a></li>
<li class="toctree-l4"><a class="reference internal" href="Cartridge.html#other">Other</a></li>
</ul>
</li>
</ul>
</li>
<li class="toctree-l2"><a class="reference internal" href="Cartridge.html#using-the-cartridge-from-python">Using the Cartridge from Python</a></li>
<li class="toctree-l2"><a class="reference internal" href="Cartridge.html#license">License</a></li>
</ul>
</li>
</ul>
</div>
</div>
<div class="section" id="additional-information">
<h1>Additional Information<a class="headerlink" href="#additional-information" title="Permalink to this headline"></a></h1>
<blockquote>
<div><ul class="simple">
<li><a class="reference external" href="api/index.html">Python API Documentation</a></li>
<li><a class="reference external" href="cppapi/index.html">C++ API Documentation</a></li>
</ul>
</div></blockquote>
</div>


          </div>
        </div>
      </div>
      <div class="clearer"></div>
    </div>
    <div class="related">
      <h3>Navigation</h3>
      <ul>
        <li class="right" style="margin-right: 10px">
          <a href="genindex.html" title="General Index"
             >index</a></li>
        <li class="right" >
          <a href="Overview.html" title="An overview of the RDKit"
             >next</a> |</li>
        <li><a href="#">The RDKit 2015.03.1 documentation</a> &raquo;</li> 
      </ul>
    </div>
    <div class="footer">
        &copy; Copyright 2014, Greg Landrum.
      Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.2.3.
    </div>
  </body>
</html>

APT Browse - Built by Thomas Orozco.