From 6b9d255583aa798482cd02e0a27cda0c7867a39e Mon Sep 17 00:00:00 2001
From: Johannes Ranke <jranke@uni-bremen.de>
Date: Fri, 26 Nov 2021 16:15:21 +0100
Subject: Update README after switching to reticulate

---
 README.html      | 4 ++--
 README.md        | 6 +++---
 docs/index.html  | 2 +-
 docs/pkgdown.yml | 2 +-
 4 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/README.html b/README.html
index 17bbc50..fe667f3 100644
--- a/README.html
+++ b/README.html
@@ -363,13 +363,13 @@ pre code {
 
 <div id="chents" class="section level1">
 <h1>chents</h1>
-<p><a href="https://travis-ci.com/jranke/chents"><img src="data:image/svg+xml;base64,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" alt="Build Status" /></a> <a href="https://codecov.io/github/jranke/chents"><img src="data:image/svg+xml;base64,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" alt="codecov" /></a></p>
+<p><a href="https://travis-ci.com/jranke/chents"><img src="data:image/svg+xml;base64,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" alt="Build Status" /></a> <a href="https://codecov.io/github/jranke/chents"><img src="data:image/svg+xml;base64,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" alt="codecov" /></a></p>
 <p>The R package <strong>chents</strong> provides some utilities for working with chemical entities in R.</p>
 <div id="features" class="section level2">
 <h2>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>
+<li>If Python and RDKit (&gt; 2015.03) are installed and configured for use with ‘reticulate’, some basic chemoinformatics functions some additional chemical information is computed and a 2D graph can be plotted</li>
 <li>Additional information can be read from a local .yaml file</li>
 </ul>
 </div>
diff --git a/README.md b/README.md
index 9941dde..5877ee3 100644
--- a/README.md
+++ b/README.md
@@ -10,9 +10,9 @@ entities in R.
 
 - Some chemical information is retrieved from the PubChem website using the webchem 
 package
-- 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
+- If Python and RDKit (> 2015.03) are installed and configured for use with
+  'reticulate', some basic chemoinformatics functions some additional chemical
+  information is computed and a 2D graph can be plotted
 - Additional information can be read from a local .yaml file
 
 ## Examples
diff --git a/docs/index.html b/docs/index.html
index c64ae68..c4ad646 100644
--- a/docs/index.html
+++ b/docs/index.html
@@ -81,7 +81,7 @@
 <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>
+<li>If Python and RDKit (&gt; 2015.03) are installed and configured for use with ‘reticulate’, some basic chemoinformatics functions some additional chemical information is computed and a 2D graph can be plotted</li>
 <li>Additional information can be read from a local .yaml file</li>
 </ul>
 </div>
diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml
index 82e7ef8..098ab97 100644
--- a/docs/pkgdown.yml
+++ b/docs/pkgdown.yml
@@ -2,5 +2,5 @@ pandoc: 2.9.2.1
 pkgdown: 1.6.1
 pkgdown_sha: ~
 articles: {}
-last_built: 2021-11-19T06:37Z
+last_built: 2021-11-26T15:14Z
 
-- 
cgit v1.2.1