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user_scripts_moldenx.html
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<div class="section" id="moldenx">
<h1>moldenx<a class="headerlink" href="#moldenx" title="Permalink to this headline">¶</a></h1>
<div class="section" id="introduction">
<h2>Introduction<a class="headerlink" href="#introduction" title="Permalink to this headline">¶</a></h2>
<p>moldenx is a wrapper to molden, very famous program of molecular visualization made by etc. Source code of the program is available here (URL).
The wrapper is intended to view a mfpx (MOF+ eXtended) file, which is yet another file format based on Tinker xyz file format.</p>
<p>Essentially, moldenx take care of this:
grep -v # $mfpxfile | awk ‘{$6=”5”; $7=””; $8=””; print}’ > $txyzfile
where $mfpxfile is the attached filename, $txyzfile is your target filename (watch out: ending with .txyz).
You can open $txyzfile via molden or via vmd to properly see the bonds. My molden crashes for huge structures, so use vmd, then file->new molecule->browse $txyzfile and determine file type as “Tinker”.</p>
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<div class="section" id="usage">
<h2>Usage<a class="headerlink" href="#usage" title="Permalink to this headline">¶</a></h2>
<p>moldenx has the same signature of molden. So, moldenx -h the output moldenx -S remove the logo moldenx -a avoid Z-matrix calculation (useful for topologies!), etc.</p>
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<div class="section" id="copyright">
<h2>Copyright<a class="headerlink" href="#copyright" title="Permalink to this headline">¶</a></h2>
<p>molden is (c)
moldenx is GPLv3.</p>
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