diff --git a/.doctrees/api/index.doctree b/.doctrees/api/index.doctree
new file mode 100644
index 00000000..505b5310
Binary files /dev/null and b/.doctrees/api/index.doctree differ
diff --git a/.doctrees/environment.pickle b/.doctrees/environment.pickle
index 35988f8f..355c6ad1 100644
Binary files a/.doctrees/environment.pickle and b/.doctrees/environment.pickle differ
diff --git a/.doctrees/index.doctree b/.doctrees/index.doctree
index 91d745d3..8a446ddd 100644
Binary files a/.doctrees/index.doctree and b/.doctrees/index.doctree differ
diff --git a/_rediraffe_redirected.json b/_rediraffe_redirected.json
index 9be2beed..5925902d 100644
--- a/_rediraffe_redirected.json
+++ b/_rediraffe_redirected.json
@@ -1 +1 @@
-{"api/2.3/index": "api/2.3.0/index", "api/index.rst": "api/3.0/index", "dev-api/index.rst": "api/3.0/index"}
\ No newline at end of file
+{"api/2.3/index": "api/2.3.0/index", "dev-api/index.rst": "api/3.0/index"}
\ No newline at end of file
diff --git a/_sources/api/index.md.txt b/_sources/api/index.md.txt
new file mode 100644
index 00000000..ea41dae3
--- /dev/null
+++ b/_sources/api/index.md.txt
@@ -0,0 +1,10 @@
+(api)=
+# API
+
+
+```{toctree}
+:maxdepth: 2
+ 
+3.0/index
+```
+
diff --git a/api/index.html b/api/index.html
index 11c4e2f3..784ef3be 100644
--- a/api/index.html
+++ b/api/index.html
@@ -1,15 +1,478 @@
 
-<html>
-    <head>
-        <noscript>
-            <meta http-equiv="refresh" content="0; url=3.0/index.html"/>
-        </noscript>
-    </head>
-    <body>
-        <script>
-            window.location.href = '3.0/index.html' + (window.location.search || '') + (window.location.hash || '');
-        </script>
-        <p>You should have been redirected.</p>
-        <a href="3.0/index.html">If not, click here to continue.</a>
-    </body>
-</html>
+<!DOCTYPE html>
+
+
+<html lang="en" data-content_root="../" >
+
+  <head>
+    <meta charset="utf-8" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
+
+    <title>API &#8212; Open Babel openbabel-3-1-1 documentation</title>
+  
+  
+  
+  <script data-cfasync="false">
+    document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+  </script>
+  
+  <!-- Loaded before other Sphinx assets -->
+  <link href="../_static/styles/theme.css?digest=5b4479735964841361fd" rel="stylesheet" />
+<link href="../_static/styles/bootstrap.css?digest=5b4479735964841361fd" rel="stylesheet" />
+<link href="../_static/styles/pydata-sphinx-theme.css?digest=5b4479735964841361fd" rel="stylesheet" />
+
+  
+  <link href="../_static/vendor/fontawesome/6.1.2/css/all.min.css?digest=5b4479735964841361fd" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.woff2" />
+
+    <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=a746c00c" />
+    <link rel="stylesheet" type="text/css" href="../_static/copybutton.css?v=76b2166b" />
+    <link rel="stylesheet" type="text/css" href="../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../_static/custom.css" />
+  
+  <!-- Pre-loaded scripts that we'll load fully later -->
+  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=5b4479735964841361fd" />
+<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=5b4479735964841361fd" />
+  <script src="../_static/vendor/fontawesome/6.1.2/js/all.min.js?digest=5b4479735964841361fd"></script>
+
+    <script src="../_static/documentation_options.js?v=4d45eed0"></script>
+    <script src="../_static/doctools.js?v=888ff710"></script>
+    <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
+    <script src="../_static/clipboard.min.js?v=a7894cd8"></script>
+    <script src="../_static/copybutton.js?v=f281be69"></script>
+    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script>DOCUMENTATION_OPTIONS.pagename = 'api/index';</script>
+    <link rel="canonical" href="https://openbabel.github.io/api/index.html" />
+    <link rel="index" title="Index" href="../genindex.html" />
+    <link rel="search" title="Search" href="../search.html" />
+    <link rel="prev" title="Open Babel - the chemistry toolbox" href="../index.html" />
+  <meta name="viewport" content="width=device-width, initial-scale=1"/>
+  <meta name="docsearch:language" content="en"/>
+  </head>
+  
+  
+  <body data-bs-spy="scroll" data-bs-target=".bd-toc-nav" data-offset="180" data-bs-root-margin="0px 0px -60%" data-default-mode="">
+
+  
+  
+  <a class="skip-link" href="#main-content">Skip to main content</a>
+  
+  <div id="pst-scroll-pixel-helper"></div>
+
+  
+  <button type="button" class="btn rounded-pill" id="pst-back-to-top">
+    <i class="fa-solid fa-arrow-up"></i>
+    Back to top
+  </button>
+
+  
+  <input type="checkbox"
+          class="sidebar-toggle"
+          name="__primary"
+          id="__primary"/>
+  <label class="overlay overlay-primary" for="__primary"></label>
+  
+  <input type="checkbox"
+          class="sidebar-toggle"
+          name="__secondary"
+          id="__secondary"/>
+  <label class="overlay overlay-secondary" for="__secondary"></label>
+  
+  <div class="search-button__wrapper">
+    <div class="search-button__overlay"></div>
+    <div class="search-button__search-container">
+<form class="bd-search d-flex align-items-center"
+      action="../search.html"
+      method="get">
+  <i class="fa-solid fa-magnifying-glass"></i>
+  <input type="search"
+         class="form-control"
+         name="q"
+         id="search-input"
+         placeholder="Search the docs ..."
+         aria-label="Search the docs ..."
+         autocomplete="off"
+         autocorrect="off"
+         autocapitalize="off"
+         spellcheck="false"/>
+  <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
+</form></div>
+  </div>
+  
+    <nav class="bd-header navbar navbar-expand-lg bd-navbar">
+<div class="bd-header__inner bd-page-width">
+  <label class="sidebar-toggle primary-toggle" for="__primary">
+    <span class="fa-solid fa-bars"></span>
+  </label>
+  
+  
+  <div class="col-lg-3 navbar-header-items__start">
+    
+      <div class="navbar-item">
+
+  
+
+<a class="navbar-brand logo" href="../index.html">
+  
+  
+  
+  
+  
+  
+    <p class="title logo__title">Open Babel</p>
+  
+</a></div>
+    
+  </div>
+  
+  <div class="col-lg-9 navbar-header-items">
+    
+    <div class="me-auto navbar-header-items__center">
+      
+        <div class="navbar-item">
+<nav class="navbar-nav">
+  <p class="sidebar-header-items__title"
+     role="heading"
+     aria-level="1"
+     aria-label="Site Navigation">
+    Site Navigation
+  </p>
+  <ul class="bd-navbar-elements navbar-nav">
+    
+                    <li class="nav-item current active">
+                      <a class="nav-link nav-internal" href="#">
+                        API
+                      </a>
+                    </li>
+                
+  </ul>
+</nav></div>
+      
+    </div>
+    
+    
+    <div class="navbar-header-items__end">
+      
+        <div class="navbar-item navbar-persistent--container">
+          
+
+ <script>
+ document.write(`
+   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="fa-solid fa-magnifying-glass"></i>
+    <span class="search-button__default-text">Search</span>
+    <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
+   </button>
+ `);
+ </script>
+        </div>
+      
+      
+        <div class="navbar-item">
+
+<script>
+document.write(`
+  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
+    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
+    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  </button>
+`);
+</script></div>
+      
+        <div class="navbar-item"><ul class="navbar-icon-links navbar-nav"
+    aria-label="Icon Links">
+        <li class="nav-item">
+          
+          
+          
+          
+          
+          
+          
+          
+          <a href="https://github.com/openbabel/openbabel" title="GitHub" class="nav-link" rel="noopener" target="_blank" data-bs-toggle="tooltip" data-bs-placement="bottom"><span><i class="fa-brands fa-square-github fa-lg" aria-hidden="true"></i></span>
+            <span class="sr-only">GitHub</span></a>
+        </li>
+        <li class="nav-item">
+          
+          
+          
+          
+          
+          
+          
+          
+          <a href="https://twitter.com/OpenBabel" title="Twitter" class="nav-link" rel="noopener" target="_blank" data-bs-toggle="tooltip" data-bs-placement="bottom"><span><i class="fa-brands fa-square-twitter fa-lg" aria-hidden="true"></i></span>
+            <span class="sr-only">Twitter</span></a>
+        </li>
+</ul></div>
+      
+    </div>
+    
+  </div>
+  
+  
+    <div class="navbar-persistent--mobile">
+
+ <script>
+ document.write(`
+   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="fa-solid fa-magnifying-glass"></i>
+    <span class="search-button__default-text">Search</span>
+    <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
+   </button>
+ `);
+ </script>
+    </div>
+  
+
+  
+    <label class="sidebar-toggle secondary-toggle" for="__secondary" tabindex="0">
+      <span class="fa-solid fa-outdent"></span>
+    </label>
+  
+</div>
+
+    </nav>
+  
+  <div class="bd-container">
+    <div class="bd-container__inner bd-page-width">
+      
+      <div class="bd-sidebar-primary bd-sidebar hide-on-wide">
+        
+
+  
+  <div class="sidebar-header-items sidebar-primary__section">
+    
+    
+      <div class="sidebar-header-items__center">
+        
+          <div class="navbar-item">
+<nav class="navbar-nav">
+  <p class="sidebar-header-items__title"
+     role="heading"
+     aria-level="1"
+     aria-label="Site Navigation">
+    Site Navigation
+  </p>
+  <ul class="bd-navbar-elements navbar-nav">
+    
+                    <li class="nav-item current active">
+                      <a class="nav-link nav-internal" href="#">
+                        API
+                      </a>
+                    </li>
+                
+  </ul>
+</nav></div>
+        
+      </div>
+    
+    
+    
+      <div class="sidebar-header-items__end">
+        
+          <div class="navbar-item">
+
+<script>
+document.write(`
+  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
+    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
+    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  </button>
+`);
+</script></div>
+        
+          <div class="navbar-item"><ul class="navbar-icon-links navbar-nav"
+    aria-label="Icon Links">
+        <li class="nav-item">
+          
+          
+          
+          
+          
+          
+          
+          
+          <a href="https://github.com/openbabel/openbabel" title="GitHub" class="nav-link" rel="noopener" target="_blank" data-bs-toggle="tooltip" data-bs-placement="bottom"><span><i class="fa-brands fa-square-github fa-lg" aria-hidden="true"></i></span>
+            <span class="sr-only">GitHub</span></a>
+        </li>
+        <li class="nav-item">
+          
+          
+          
+          
+          
+          
+          
+          
+          <a href="https://twitter.com/OpenBabel" title="Twitter" class="nav-link" rel="noopener" target="_blank" data-bs-toggle="tooltip" data-bs-placement="bottom"><span><i class="fa-brands fa-square-twitter fa-lg" aria-hidden="true"></i></span>
+            <span class="sr-only">Twitter</span></a>
+        </li>
+</ul></div>
+        
+      </div>
+    
+  </div>
+  
+  
+  <div class="sidebar-primary-items__end sidebar-primary__section">
+  </div>
+  
+  <div id="rtd-footer-container"></div>
+
+
+      </div>
+      
+      <main id="main-content" class="bd-main">
+        
+        
+          <div class="bd-content">
+            <div class="bd-article-container">
+              
+              <div class="bd-header-article">
+<div class="header-article-items header-article__inner">
+  
+    <div class="header-article-items__start">
+      
+        <div class="header-article-item">
+
+
+
+<nav aria-label="Breadcrumb">
+  <ul class="bd-breadcrumbs">
+    
+    <li class="breadcrumb-item breadcrumb-home">
+      <a href="../index.html" class="nav-link" aria-label="Home">
+        <i class="fa-solid fa-home"></i>
+      </a>
+    </li>
+    <li class="breadcrumb-item active" aria-current="page">API</li>
+  </ul>
+</nav>
+</div>
+      
+    </div>
+  
+  
+</div>
+</div>
+              
+              
+              
+                
+<div id="searchbox"></div>
+                <article class="bd-article" role="main">
+                  
+  <section class="tex2jax_ignore mathjax_ignore" id="api">
+<span id="id1"></span><h1>API<a class="headerlink" href="#api" title="Link to this heading">#</a></h1>
+<div class="toctree-wrapper compound">
+</div>
+</section>
+
+
+                </article>
+              
+              
+              
+              
+              
+                <footer class="prev-next-footer">
+                  
+<div class="prev-next-area">
+    <a class="left-prev"
+       href="../index.html"
+       title="previous page">
+      <i class="fa-solid fa-angle-left"></i>
+      <div class="prev-next-info">
+        <p class="prev-next-subtitle">previous</p>
+        <p class="prev-next-title">Open Babel - the chemistry toolbox</p>
+      </div>
+    </a>
+</div>
+                </footer>
+              
+            </div>
+            
+            
+              
+                <div class="bd-sidebar-secondary bd-toc"><div class="sidebar-secondary-items sidebar-secondary__inner">
+
+  <div class="sidebar-secondary-item">
+
+  
+  <div class="tocsection editthispage">
+    <a href="https://github.com/openbabel/openbabel.github.io/edit/main/source/api/index.md">
+      <i class="fa-solid fa-pencil"></i>
+      
+      
+        
+          Edit on GitHub
+        
+      
+    </a>
+  </div>
+</div>
+
+</div></div>
+              
+            
+          </div>
+          <footer class="bd-footer-content">
+            
+          </footer>
+        
+      </main>
+    </div>
+  </div>
+  
+  <!-- Scripts loaded after <body> so the DOM is not blocked -->
+  <script src="../_static/scripts/bootstrap.js?digest=5b4479735964841361fd"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=5b4479735964841361fd"></script>
+
+  <footer class="bd-footer">
+<div class="bd-footer__inner bd-page-width">
+  
+    <div class="footer-items__start">
+      
+        <div class="footer-item">
+
+  <p class="copyright">
+    
+      © Copyright ©2023 The Open Babel Team.
+      <br/>
+    
+  </p>
+</div>
+      
+        <div class="footer-item">
+
+  <p class="sphinx-version">
+    Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.2.6.
+    <br/>
+  </p>
+</div>
+      
+    </div>
+  
+  
+  
+    <div class="footer-items__end">
+      
+        <div class="footer-item">
+<p class="theme-version">
+  Built with the <a href="https://pydata-sphinx-theme.readthedocs.io/en/stable/index.html">PyData Sphinx Theme</a> 0.14.4.
+</p></div>
+      
+    </div>
+  
+</div>
+
+  </footer>
+  </body>
+</html>
\ No newline at end of file
diff --git a/genindex.html b/genindex.html
index 0f9754c2..e647c9a7 100644
--- a/genindex.html
+++ b/genindex.html
@@ -140,6 +140,12 @@
   </p>
   <ul class="bd-navbar-elements navbar-nav">
     
+                    <li class="nav-item">
+                      <a class="nav-link nav-internal" href="api/index.html">
+                        API
+                      </a>
+                    </li>
+                
   </ul>
 </nav></div>
       
@@ -249,6 +255,12 @@
   </p>
   <ul class="bd-navbar-elements navbar-nav">
     
+                    <li class="nav-item">
+                      <a class="nav-link nav-internal" href="api/index.html">
+                        API
+                      </a>
+                    </li>
+                
   </ul>
 </nav></div>
         
diff --git a/index.html b/index.html
index e348e147..69c4bbdb 100644
--- a/index.html
+++ b/index.html
@@ -48,6 +48,7 @@
     <link rel="canonical" href="https://openbabel.github.io/index.html" />
     <link rel="index" title="Index" href="genindex.html" />
     <link rel="search" title="Search" href="search.html" />
+    <link rel="next" title="API" href="api/index.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
   <meta name="docsearch:language" content="en"/>
   </head>
@@ -141,6 +142,12 @@
   </p>
   <ul class="bd-navbar-elements navbar-nav">
     
+                    <li class="nav-item">
+                      <a class="nav-link nav-internal" href="api/index.html">
+                        API
+                      </a>
+                    </li>
+                
   </ul>
 </nav></div>
       
@@ -254,6 +261,12 @@
   </p>
   <ul class="bd-navbar-elements navbar-nav">
     
+                    <li class="nav-item">
+                      <a class="nav-link nav-internal" href="api/index.html">
+                        API
+                      </a>
+                    </li>
+                
   </ul>
 </nav></div>
         
@@ -356,6 +369,15 @@ <h1>Open Babel - the chemistry toolbox<a class="headerlink" href="#open-babel-th
                 <footer class="prev-next-footer">
                   
 <div class="prev-next-area">
+    <a class="right-next"
+       href="api/index.html"
+       title="next page">
+      <div class="prev-next-info">
+        <p class="prev-next-subtitle">next</p>
+        <p class="prev-next-title">API</p>
+      </div>
+      <i class="fa-solid fa-angle-right"></i>
+    </a>
 </div>
                 </footer>
               
diff --git a/objects.inv b/objects.inv
index 75ef5a0a..29d3ecf8 100644
--- a/objects.inv
+++ b/objects.inv
@@ -2,6 +2,5 @@
 # Project: Open Babel
 # Version: openbabel-3-1-1
 # The remainder of this file is compressed using zlib.
-xڅ�1
-�0Ew�BH�k�nJ=�c	; [!V!�}	Ji�n����#�� -P/�b�����43���}1��B;�1Q��٠� $�cչ��� �˂?���}
-�t|1m�����7MR�v%?�t-3�i}�#�7(5]
\ No newline at end of file
+xڅ�A
+�0E�9ŀn��u��.Ā'H��	$�Ў��^llm��n���?*9�ٜ�j�Cu���E���r�=\d-�pd�-9r-�/6ONi���)6k�0µ��A[��.����x�r5e�F����r���dfKqm��:m�bɊ�(�T-�m'v�
\ No newline at end of file
diff --git a/search.html b/search.html
index 830179ad..e986be1a 100644
--- a/search.html
+++ b/search.html
@@ -142,6 +142,12 @@
   </p>
   <ul class="bd-navbar-elements navbar-nav">
     
+                    <li class="nav-item">
+                      <a class="nav-link nav-internal" href="api/index.html">
+                        API
+                      </a>
+                    </li>
+                
   </ul>
 </nav></div>
       
@@ -251,6 +257,12 @@
   </p>
   <ul class="bd-navbar-elements navbar-nav">
     
+                    <li class="nav-item">
+                      <a class="nav-link nav-internal" href="api/index.html">
+                        API
+                      </a>
+                    </li>
+                
   </ul>
 </nav></div>
         
diff --git a/searchindex.js b/searchindex.js
index b3c50992..ef7b9d20 100644
--- a/searchindex.js
+++ b/searchindex.js
@@ -1 +1 @@
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