aboutsummaryrefslogtreecommitdiff
path: root/docs/reference/chent.html
diff options
context:
space:
mode:
authorJohannes Ranke <jranke@uni-bremen.de>2019-02-19 23:19:31 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2019-02-19 23:19:31 +0100
commitbfa20a8c262580e38d30cfa95e75d1b01b568d07 (patch)
treed316e76f437662eb193736af2b12bbf223db6e72 /docs/reference/chent.html
parenta7e2c2008699b590325ccd848562881251676faf (diff)
Use rsvg instead of grConvert
as grConvert is not on CRAN
Diffstat (limited to 'docs/reference/chent.html')
-rw-r--r--docs/reference/chent.html4
1 files changed, 2 insertions, 2 deletions
diff --git a/docs/reference/chent.html b/docs/reference/chent.html
index 369b0a0..3d0928c 100644
--- a/docs/reference/chent.html
+++ b/docs/reference/chent.html
@@ -65,7 +65,7 @@ python bindings are installed and configured for use with PythonInR." />
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../index.html">chents</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.6</span>
+ <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.7</span>
</span>
</div>
@@ -149,7 +149,7 @@ configured for use with PythonInR</p></dd>
<pre class="examples"><div class='input'><span class='no'>oct</span> <span class='kw'>&lt;-</span> <span class='no'>chent</span>$<span class='fu'>new</span>(<span class='st'>"1-octanol"</span>, <span class='kw'>smiles</span> <span class='kw'>=</span> <span class='st'>"CCCCCCCCO"</span>)</div><div class='output co'>#&gt; <span class='message'>PubChem:</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount/JSON</span></div><div class='output co'>#&gt; <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#&gt; <span class='message'></span>
#&gt; <span class='message'>Initialize Python Version 2.7.13 (default, Sep 26 2018, 18:42:22) </span>
#&gt; <span class='message'>[GCC 6.3.0 20170516]</span></div><div class='output co'>#&gt; <span class='message'>Trying to get chemical information from RDKit using User SMILES</span>
-#&gt; <span class='message'>CCCCCCCCO</span></div><div class='output co'>#&gt; <span class='message'>Lade nötigen Namensraum: grConvert</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./1-octanol.yaml</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>oct</span>)</div><div class='output co'>#&gt; &lt;chent&gt;
+#&gt; <span class='message'>CCCCCCCCO</span></div><div class='output co'>#&gt; <span class='message'>Did not find chyaml file ./1-octanol.yaml</span></div><div class='input'><span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/print'>print</a></span>(<span class='no'>oct</span>)</div><div class='output co'>#&gt; &lt;chent&gt;
#&gt; Identifier $identifier 1-octanol
#&gt; InChI Key $inchikey KBPLFHHGFOOTCA-UHFFFAOYSA-N
#&gt; SMILES string $smiles:

Contact - Imprint