docs/plot.chent.html


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      <h1>Plot method for chent objects</h1>

<div class="row">
  <div class="span8">
    <h2>Usage</h2>
    <pre><span class="comment"># S3 method for chent</span>
<span class="functioncall"><a href='http://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span><span class="keyword">(</span><span class="symbol">x</span><span class="keyword">,</span> <span class="symbol">...</span><span class="keyword">)</span></pre>
    
    <h2>Arguments</h2>
    <dl>
      <dt>x</dt>
      <dd>The chent object to be plotted</dd>
      <dt>...</dt>
      <dd>Further arguments passed to <code><a href='http://www.rdocumentation.org/packages/grImport/topics/grid.picture'>grid.picture</a></code></dd>
    </dl>
    
    <div class="Description">
      <h2>Description</h2>

      <p>Plot method for chent objects</p>

    </div>
    
    <h2 id="examples">Examples</h2>
    <pre class="examples"><div class='input'><span class="symbol">caffeine</span> <span class="assignement">&lt;-</span> <span class="symbol">chent</span><span class="keyword">$</span><span class="functioncall"><a href='http://www.rdocumentation.org/packages/methods/topics/new'>new</a></span><span class="keyword">(</span><span class="string">"caffeine"</span><span class="keyword">)</span></div>
<strong class='message'>PubChem:</strong>
<strong class='message'>http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON</strong>
<strong class='message'>Found 1 entries in PubChem, using the first one.</strong>
<strong class='message'>http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,ExactMass,MonoisotopicMass,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount,RotatableBondCount,HeavyAtomCount,IsotopeAtomCount,AtomStereoCount,DefinedAtomStereoCount,UndefinedAtomStereoCount,BondStereoCount,DefinedBondStereoCount,UndefinedBondStereoCount,CovalentUnitCount,Volume3D,XStericQuadrupole3D,YStericQuadrupole3D,ZStericQuadrupole3D,FeatureCount3D,FeatureAcceptorCount3D,FeatureDonorCount3D,FeatureAnionCount3D,FeatureCationCount3D,FeatureRingCount3D,FeatureHydrophobeCount3D,ConformerModelRMSD3D,EffectiveRotorCount3D,ConformerCount3D,Fingerprint2D/JSON</strong>
<strong class='message'>http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON</strong>
<strong class='message'>Trying to get chemical information from RDKit using PubChem_Canonical SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2C)C</strong>
<strong class='message'>Did not find chyaml file ./caffeine.yaml</strong>
<div class='input'><span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/print'>print</a></span><span class="keyword">(</span><span class="symbol">caffeine</span><span class="keyword">)</span></div>
<div class='output'>&lt;chent&gt;
Identifier $identifier caffeine 
InChI Key $inchikey RYYVLZVUVIJVGH-UHFFFAOYSA-N 
SMILES string $smiles:
             PubChem_Canonical 
&quot;CN1C=NC2=C1C(=O)N(C(=O)N2C)C&quot; 
Molecular weight $mw: 194.2 
PubChem synonyms (up to 10):
 [1] &quot;2519&quot;                    &quot;caffeine&quot;               
 [3] &quot;1,3,7-Trimethylxanthine&quot; &quot;Methyltheobromine&quot;      
 [5] &quot;Guaranine&quot;               &quot;Cafeina&quot;                
 [7] &quot;Koffein&quot;                 &quot;Mateina&quot;                
 [9] &quot;Thein&quot;                   &quot;Theine&quot;                 
</div>
<div class='input'><span class="functioncall"><a href='http://www.rdocumentation.org/packages/graphics/topics/plot'>plot</a></span><span class="keyword">(</span><span class="symbol">caffeine</span><span class="keyword">)</span></div>
<p><img src='plot.chent-12.png' alt='' width='540' height='400' /></p></pre>
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