diff options
| author | Johannes Ranke <jranke@uni-bremen.de> | 2019-02-19 23:19:31 +0100 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2019-02-19 23:19:31 +0100 |
| commit | bfa20a8c262580e38d30cfa95e75d1b01b568d07 (patch) | |
| tree | d316e76f437662eb193736af2b12bbf223db6e72 /docs/reference/chent.html | |
| parent | a7e2c2008699b590325ccd848562881251676faf (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.html | 4 |
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'><-</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'>#> <span class='message'>PubChem:</span></div><div class='output co'>#> <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON</span></div><div class='output co'>#> <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'>#> <span class='message'>https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</span></div><div class='output co'>#> <span class='message'></span> #> <span class='message'>Initialize Python Version 2.7.13 (default, Sep 26 2018, 18:42:22) </span> #> <span class='message'>[GCC 6.3.0 20170516]</span></div><div class='output co'>#> <span class='message'>Trying to get chemical information from RDKit using User SMILES</span> -#> <span class='message'>CCCCCCCCO</span></div><div class='output co'>#> <span class='message'>Lade nötigen Namensraum: grConvert</span></div><div class='output co'>#> <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'>#> <chent> +#> <span class='message'>CCCCCCCCO</span></div><div class='output co'>#> <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'>#> <chent> #> Identifier $identifier 1-octanol #> InChI Key $inchikey KBPLFHHGFOOTCA-UHFFFAOYSA-N #> SMILES string $smiles: |