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Sophie

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mpqc-html-2.3.1-9mdv2010.0.i586.rpm

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The molrender program reads a molecule from an input file and can render it in a variety of ways.<p>
The output is an OOGL file that the <a href="http://www.geom.umn.edu/software/download/geomview.html">Geomview</a> program can read and display.<p>
<h1>Compiling molrender</h1>
<p>
molrender is distributed with the SC Toolkit. molrender will automatically be compiled when SC is compiled. See <a class="el" href="compile.html">Compiling</a> for more information.<p>
<h1>Running molrender</h1>
<p>
If you have wish installed, tkmolrender script can be run to bring up a simple GUI to let you set up the molrender options. Otherwise, molrender can be run directly and takes the following command line options:<p>
<dl>
<dt><code>-model</code></dt>
<dd>Must be followed by one of ball, stick, or connolly </dd>
<dt><code>-render</code></dt>
<dd>Must be followed by the argument oogl </dd>
<dt><code>-pdb</code></dt>
<dd>Indicates that the input is a PDB file </dd>
<dt><code>-keyval</code></dt>
<dd>Indicates that the input is a KeyVal input </dd>
<dt><code>-keyword</code></dt>
<dd>Must be followed by keyword to read in a KeyVal input </dd>
<dt><code>-level</code></dt>
<dd>Must be Followed by an integer which is the sphere subdivision level </dd>
</dl>
<p>
<h1>License</h1>
<p>
molrender is open-source software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.<p>
<h1>Warranty</h1>
<p>
molrender is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. </div>
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