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diff --git a/docs/index.html b/docs/index.html index 991bab9..f16ddf7 100644 --- a/docs/index.html +++ b/docs/index.html @@ -8,8 +8,16 @@ <title>Chemical Entities as R Objects • chents</title> <!-- jquery --><script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script><!-- Bootstrap --><link href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous"> <script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script><!-- Font Awesome icons --><link href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous"> -<!-- pkgdown --><link href="pkgdown.css" rel="stylesheet"> -<script src="jquery.sticky-kit.min.js"></script><script src="pkgdown.js"></script><!-- mathjax --><script src="https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script><!--[if lt IE 9]> +<!-- clipboard.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" crossorigin="anonymous"></script><!-- pkgdown --><link href="pkgdown.css" rel="stylesheet"> +<script src="jquery.sticky-kit.min.js"></script><script src="pkgdown.js"></script><meta property="og:title" content="Chemical Entities as R Objects"> +<meta property="og:description" content="Utilities for dealing with chemical entities and associated + data as R objects. If Python and RDKit (> 2015.03) are installed and + configured for use with 'PythonInR', some basic chemoinformatics functions + like the calculation of molecular weight and plotting of chemical + structures in R graphics are available. For plotting, you need + grConvert (https://sjp.co.nz/projects/grconvert) which is not on CRAN."> +<meta name="twitter:card" content="summary"> +<!-- mathjax --><script src="https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"></script><!--[if lt IE 9]> <script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script> <script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script> <![endif]--> @@ -29,6 +37,12 @@ <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> + <a href="index.html"> + <span class="fa fa-home fa-lg"></span> + + </a> +</li> +<li> <a href="reference/index.html">Reference</a> </li> </ul> @@ -45,7 +59,7 @@ <div class="contents col-md-9"> <div id="chents" class="section level1"> <div class="page-header"><h1 class="hasAnchor"> -<a href="#chents" class="anchor"> </a>chents</h1></div> +<a href="#chents" class="anchor"></a>chents</h1></div> <p>The R package <strong>chents</strong> provides some utilities for working with chemical entities in R, made available under the GNU public license. This means:</p> <div class="sourceCode"><pre class="sourceCode R"><code class="sourceCode r">This program is free software:<span class="st"> </span>you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software @@ -61,7 +75,7 @@ You should have received a copy of the GNU General Public License along with this program. If not, see <http:<span class="er">//</span>www.gnu.org/licenses/<span class="er">></span></code></pre></div> <div id="features" class="section level2"> <h2 class="hasAnchor"> -<a href="#features" class="anchor"> </a>Features</h2> +<a href="#features" class="anchor"></a>Features</h2> <ul> <li>Some chemical information is retrieved from the PubChem website using the webchem package</li> <li>If PythonInR is installed and configured, and RDKit is available via PythonInR, some additional chemical information is computed and a 2D graph can be plotted</li> @@ -77,7 +91,7 @@ this program. If not, see <http:<span class="er">//</span>www.gnu.org/license <p>GPL</p> <h2>Developers</h2> <ul class="list-unstyled"> -<li>Johannes Ranke <br><small class="roles"> Author, maintainer, copyright holder </small> </li> +<li>Johannes Ranke <br><small class="roles"> Author, maintainer, copyright holder </small> </li> </ul> </div> </div> @@ -88,7 +102,7 @@ this program. If not, see <http:<span class="er">//</span>www.gnu.org/license </div> <div class="pkgdown"> - <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p> + <p>Site built with <a href="http://pkgdown.r-lib.org/">pkgdown</a>.</p> </div> </footer> |