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NSFnugget.html

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@@ -120,11 +120,11 @@ <h1>Enabling new science in nanoscale structure characterization of complex mate
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that are described in more detail in <a class="footnote-reference brackets" href="#id2" id="id1">1</a>. The beta version of PDFgui
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is now in public release, available for Windows, Linux and Mac OSX platforms,
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and in the first month has been downloaded 220 times. More information can be
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found at <a class="reference external" href="http://www.diffpy.org">http://www.diffpy.org</a>.</p>
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found at <a class="reference external" href="https://www.diffpy.org">https://www.diffpy.org</a>.</p>
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<dl class="footnote brackets">
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<dt class="label" id="id2"><span class="brackets"><a class="fn-backref" href="#id1">1</a></span></dt>
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<dd><p>C. L. Farrow, P. Juhás, J. W. Liu, D. Bryndin, E. S. Božin, J. Bloch,
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Th. Proffen and S. J. L. Billinge, <a class="reference external" href="http://iopscience.iop.org/0953-8984/19/33/335219/">PDFfit2 and PDFgui: computer
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Th. Proffen and S. J. L. Billinge, <a class="reference external" href="https://doi.org/10.1088/0953-8984/19/33/335219">PDFfit2 and PDFgui: computer
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programs for studying nanostructure in crystals</a>,
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<em>J. Phys.: Condens. Mat.</em> <strong>19</strong>, 335219 (2007)
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<a class="reference external" href="doc/pdfgui/Farrow-jpcm-2007.pdf"><img alt="downloadFarrowJpcm07" src="_images/pdficon_small.png" /></a></p>

index.html

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@@ -109,15 +109,15 @@ <h1>DiffPy - Atomic Structure Analysis in Python<a class="headerlink" href="#dif
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Complex Modeling framework, a modular software framework for robust and extensible
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modeling of diffraction data. We welcome contributions to this project from the
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community.</p>
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<p>The project is currently centered at <a class="reference external" href="http://www.bnl.gov/">Brookhaven National Laboratory</a>, a US <a class="reference external" href="https://science.energy.gov/bes/">Department of
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<p>The project is currently centered at <a class="reference external" href="https://www.bnl.gov/">Brookhaven National Laboratory</a>, a US <a class="reference external" href="https://science.energy.gov/bes/">Department of
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Energy, Office of Basic Energy Sciences</a> funded laboratory.
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Many parts of the code were developed under the diffraction part of the <a class="reference external" href="http://danse.us/">DANSE</a> project,
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a software construction project funded by the <a class="reference external" href="http://www.nsf.gov/">National Science Foundation</a> to provide
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a software construction project funded by the <a class="reference external" href="https://www.nsf.gov/">National Science Foundation</a> to provide
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data analysis software tools for neutron scattering experiments. This project was previously
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centered at Columbia University and, before that, Michigan State University.</p>
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<a class="reference internal image-reference" href="_images/blank1x1.png"><img alt="_images/blank1x1.png" class="align-left" src="_images/blank1x1.png" style="height: 10px;" /></a>
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<div class="figure align-left">
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<a class="reference external image-reference" href="http://www.bnl.gov/"><img alt="_images/BNL_logo.jpg" src="_images/BNL_logo.jpg" /></a>
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<a class="reference external image-reference" href="https://www.bnl.gov/"><img alt="_images/BNL_logo.jpg" src="_images/BNL_logo.jpg" /></a>
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</div>
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<div class="figure align-right">
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<a class="reference external image-reference" href="https://science.energy.gov/bes/"><img alt="_images/DOE_logo.png" src="_images/DOE_logo.png" /></a>

products/SrMise.html

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@@ -144,9 +144,9 @@ <h2>Getting Started<a class="headerlink" href="#getting-started" title="Permalin
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executables, installation instructions, and licensing information
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for some popular options are listed below.</p>
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<ul class="simple">
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<li><p><a class="reference external" href="https://www.anaconda.com/download">Anaconda</a></p></li>
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<li><p><a class="reference external" href="https://www.enthought.com/products/canopy/">Enthought Canopy</a></p></li>
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<li><p><a class="reference external" href="https://code.google.com/p/pythonxy/">Python(x,y)</a></p></li>
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<li><p><a class="reference external" href="https://www.anaconda.com/distribution">Anaconda</a></p></li>
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<li><p><a class="reference external" href="https://www.enthought.com/product/canopy/">Enthought Canopy</a></p></li>
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<li><p><a class="reference external" href="https://python-xy.github.io">Python(x,y)</a></p></li>
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<li><p><a class="reference external" href="http://winpython.github.io">WinPython</a></p></li>
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</ul>
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<p>Alternately, individual Windows executables for Python and the required
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sure to download the 32-bit versions of these packages.</p>
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<ul class="simple">
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<li><p><a class="reference external" href="https://www.python.org/downloads/windows/">Python 2.6/2.7</a></p></li>
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<li><p><a class="reference external" href="http://sourceforge.net/projects/numpy/files/NumPy/">NumPy</a></p></li>
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<li><p><a class="reference external" href="http://sourceforge.net/projects/scipy/files/scipy/">SciPy</a></p></li>
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<li><p><a class="reference external" href="http://matplotlib.org/downloads.html">matplotlib</a></p></li>
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<li><p><a class="reference external" href="https://sourceforge.net/projects/numpy/files/NumPy/">NumPy</a></p></li>
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<li><p><a class="reference external" href="https://sourceforge.net/projects/scipy/files/scipy/">SciPy</a></p></li>
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<li><p><a class="reference external" href="https://matplotlib.org/downloads.html">matplotlib</a></p></li>
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</ul>
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<p>After installing Python and the required packages, we can install SrMise.
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The simplest way to obtain diffpy.srmise on Windows systems
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is using <code class="docutils literal notranslate"><span class="pre">pip</span></code> to download and install the latest release from the
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<a class="reference external" href="https://pypi.python.org">Python Package Index</a> (PyPI). To do so, open a
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<a class="reference external" href="https://pypi.org">Python Package Index</a> (PyPI). To do so, open a
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command window by running <code class="docutils literal notranslate"><span class="pre">cmd</span></code> from the Start Menu’s application search box
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(Windows 7/8/10) or Run command (Windows Vista and earlier). Verify that the
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<code class="docutils literal notranslate"><span class="pre">pip</span></code> program is installed by running</p>
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</div>
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<p>The simplest way to obtain diffpy.srmise on Mac OS X systems
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is using <code class="docutils literal notranslate"><span class="pre">pip</span></code> to download and install the latest release from
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<a class="reference external" href="https://pypi.python.org">PyPI</a>.</p>
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<a class="reference external" href="https://pypi.org">PyPI</a>.</p>
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<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">sudo</span> <span class="n">pip</span> <span class="n">install</span> <span class="n">diffpy</span><span class="o">.</span><span class="n">srmise</span>
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</pre></div>
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</div>
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<p>If you prefer to install from sources, download them from the
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<a class="reference external" href="https://github.com/diffpy/diffpy.srmise/releases">GitHub</a> or
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<a class="reference external" href="https://pypi.python.org/pypi/diffpy.srmise">PyPI</a> pages for SrMise.
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<a class="reference external" href="https://pypi.org/project/diffpy.srmise">PyPI</a> pages for SrMise.
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Uncompress them to a directory, and from that directory run</p>
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<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">sudo</span> <span class="n">python</span> <span class="n">setup</span><span class="o">.</span><span class="n">py</span> <span class="n">install</span>
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</pre></div>
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<p>For other Linux distributions consult the appropriate package manager.</p>
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<p>The simplest way to obtain diffpy.srmise on Linux systems
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is using <code class="docutils literal notranslate"><span class="pre">pip</span></code> to download and install the latest release from
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<a class="reference external" href="https://pypi.python.org">PyPI</a>.</p>
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<a class="reference external" href="https://pypi.org">PyPI</a>.</p>
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<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">sudo</span> <span class="n">pip</span> <span class="n">install</span> <span class="n">diffpy</span><span class="o">.</span><span class="n">srmise</span>
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</pre></div>
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</div>
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<p>If you prefer to install from sources, download them from the
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<a class="reference external" href="https://github.com/diffpy/diffpy.srmise/releases">GitHub</a> or
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<a class="reference external" href="https://pypi.python.org/pypi/diffpy.srmise">PyPI</a> pages for SrMise.
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<a class="reference external" href="https://pypi.org/project/diffpy.srmise">PyPI</a> pages for SrMise.
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Uncompress them to a directory, and from that directory run</p>
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<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">sudo</span> <span class="n">python</span> <span class="n">setup</span><span class="o">.</span><span class="n">py</span> <span class="n">install</span>
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</pre></div>

products/diffpycmi/index.html

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@@ -120,7 +120,7 @@ <h2>Installation<a class="headerlink" href="#installation" title="Permalink to t
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<p>As of version 2.0 DiffPy-CMI is available for Linux and
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Mac as a collection of packages for Anaconda Python. As
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a first step download and install <strong>Anaconda for Python 2.7</strong>
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from <a class="reference external" href="https://www.anaconda.com/download">https://www.anaconda.com/download</a>.</p>
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from <a class="reference external" href="https://www.anaconda.com/distribution">https://www.anaconda.com/distribution</a>.</p>
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<div class="admonition note">
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<p class="admonition-title">Note</p>
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<p>If you already have Anaconda for Python 3.5, create a separate

products/diffpycmi/install.html

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@@ -127,8 +127,8 @@ <h3>Fedora<a class="headerlink" href="#fedora" title="Permalink to this headline
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<div class="section" id="mac-os-x">
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<h3>Mac OS X<a class="headerlink" href="#mac-os-x" title="Permalink to this headline"></a></h3>
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<p>For Mac OS X the system dependencies can be installed using the
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<a class="reference external" href="http://www.macports.org">MacPorts</a> software manager. A similar
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package system <a class="reference external" href="http://brew.sh">Homebrew</a> works as well, but has
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<a class="reference external" href="https://www.macports.org">MacPorts</a> software manager. A similar
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package system <a class="reference external" href="https://brew.sh">Homebrew</a> works as well, but has
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been considerably less tested with DiffPy-CMI.</p>
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<p>For best results with MacPorts follow these tips:</p>
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<ul class="simple">

products/mPDF.html

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@@ -124,7 +124,7 @@ <h2>Getting Started<a class="headerlink" href="#getting-started" title="Permalin
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<div class="section" id="installation">
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<h3>Installation<a class="headerlink" href="#installation" title="Permalink to this headline"></a></h3>
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<p>The recommended way to install this package is through conda. For help installing conda,
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please visit <a class="reference external" href="https://www.anaconda.com/download">https://www.anaconda.com/download</a>.
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please visit <a class="reference external" href="https://www.anaconda.com/distribution">https://www.anaconda.com/distribution</a>.
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Once conda is installed, you can follow the simple steps below to install diffpy.mpdf.
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You will also install the full diffpy-cmi suite along the way.</p>
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<p><em>Step 1: Add the appropriate conda channels to your conda configuration.</em></p>
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</div>
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<p><em>Alternative option: Download and install from source.</em></p>
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<p>If you prefer to install from source, you can also zip and download the entire package
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from <a class="reference external" href="https://pypi.python.org/pypi/diffpy.mpdf">PyPI</a> or
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from <a class="reference external" href="https://pypi.org/project/diffpy.mpdf">PyPI</a> or
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<a class="reference external" href="https://github.com/benfrandsen/diffpy.magpdf">GitHub</a>, then unzip the file and
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execute the following command from inside the unzipped directory</p>
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<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">python</span> <span class="n">setup</span><span class="o">.</span><span class="n">py</span> <span class="n">install</span>
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</div>
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<div class="section" id="documentation">
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<h3>Documentation<a class="headerlink" href="#documentation" title="Permalink to this headline"></a></h3>
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<p>Please see <a class="reference external" href="http://pythonhosted.org/diffpy.mpdf/">http://pythonhosted.org/diffpy.mpdf/</a>
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<p>Please see <a class="reference external" href="https://pythonhosted.org/diffpy.mpdf">https://pythonhosted.org/diffpy.mpdf</a>
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for the documentation.</p>
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</div>
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</div>

products/pdfgui.html

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<p>By downloading and using this software you are agreeing to the
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conditions specified in the <a class="reference internal" href="pdfguilicense.html"><span class="doc">software license</span></a>.</p>
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<p>PDFgui is distributed as a software package for
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<a class="reference external" href="https://www.continuum.io">Anaconda Python</a>. PDFgui is available
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for all operating systems supported by Anaconda, namely for 32 and
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64-bit Linux, Mac OS X, and 32 and 64-bit Windows.</p>
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<a class="reference external" href="https://www.anaconda.com">Anaconda Python</a>. PDFgui is available
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for all operating systems supported by Anaconda, namely for
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Linux, Mac OS X, and Windows.</p>
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<p>As a prerequisite for PDFgui installation, download and
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install <strong>Anaconda for Python 2.7</strong> from
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<a class="reference external" href="https://www.anaconda.com/download">https://www.anaconda.com/download</a>.</p>
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install <strong>Anaconda Python</strong> from
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<a class="reference external" href="https://www.anaconda.com/distribution">https://www.anaconda.com/distribution</a>.</p>
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<div class="admonition important">
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<p class="admonition-title">Important</p>
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<p>As of July 2019 Anaconda stopped providing older versions
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of several packages that are required by PDFgui
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(details <a class="reference external" href="https://www.anaconda.com/why-we-removed-the-free-channel-in-conda-4-7">here</a>).
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We are working on making PDFgui compatible with the current
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set of Anaconda packages.
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In the meantime to install PDFgui you must
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re-activate the old Anaconda packages as follows</p>
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In the meantime you must re-activate the old packages
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as follows</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda update -n base conda
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conda config --set restore_free_channel <span class="nb">true</span>
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</pre></div>
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</div>
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</div>
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<div class="admonition note">
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<p class="admonition-title">Note</p>
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<p>If you already use Anaconda for Python 3.7, create a separate
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Anaconda environment <em>py27</em> which will provide Python 2.7
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instead of 3.7.</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda create --name<span class="o">=</span>py27 <span class="nv">python</span><span class="o">=</span><span class="m">2</span>.7
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<span class="nb">source</span> activate py27
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</pre></div>
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</div>
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<p>On Windows use just <code class="docutils literal notranslate"><span class="pre">activate</span> <span class="pre">py27</span></code>. Make sure that <em>py27</em>
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environment is activated in your shell prior to running
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the “install” or “update” commands below.</p>
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</div>
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<p>PDFgui is available from the “diffpy” channel of Anaconda packages.
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Open a <em>Terminal</em> window or <em>Anaconda Command Prompt</em> on Windows
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and install PDFgui using the <strong class="program">conda</strong> command</p>
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Because PDFgui requires Python 2.7 and wxpython 3,
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it is strongly recommended to install it in a dedicated
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Anaconda environment <em>py27</em>.
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To do so open a <em>Terminal</em> window or <em>Anaconda Command Prompt</em> on Windows
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and use the <strong class="program">conda</strong> command as follows</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda config --add channels diffpy
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conda create --name<span class="o">=</span>py27 <span class="nv">python</span><span class="o">=</span><span class="m">2</span>.7
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conda activate py27
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conda install <span class="s2">&quot;diffpy.pdfgui&gt;=1.1.2&quot;</span>
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</pre></div>
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</div>
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<p>All done. To start PDFgui enter <strong class="program">pdfgui</strong> command in a
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Terminal or use the <em>DiffPy</em> start menu on Windows. PDFgui can be
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also started from the <em>Launcher</em> application included with Anaconda.</p>
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<div class="admonition note">
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<p class="admonition-title">Note</p>
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<p>To start PDFgui from a Terminal make sure <em>py27</em> is
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the active Anaconda environment:</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda activate py27
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</pre></div>
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</div>
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<p>Alternatively you can add the following line to your shell startup
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file <code class="file docutils literal notranslate"><span class="pre">.bashrc</span></code> to define an alias which will work in
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any Anaconda environment</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span><span class="nb">alias</span> <span class="nv">pdfgui</span><span class="o">=</span><span class="s2">&quot;/path/to/py27/bin/pdfgui&quot;</span>
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</pre></div>
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</div>
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<p>where <code class="docutils literal notranslate"><span class="pre">/path/to</span></code> needs to be adjusted according to the output of
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<code class="docutils literal notranslate"><span class="pre">which</span> <span class="pre">pdfgui</span></code> command.</p>
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</div>
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</div>
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<div class="section" id="pdfgui-updates">
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<h2>PDFgui updates<a class="headerlink" href="#pdfgui-updates" title="Permalink to this headline"></a></h2>
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<div class="section" id="other-versions">
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<h2>Other versions<a class="headerlink" href="#other-versions" title="Permalink to this headline"></a></h2>
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<p>When Anaconda Python is not available, PDFgui can be installed from
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sources. The latest source package is at the <a class="reference external" href="https://pypi.python.org/pypi/diffpy.pdfgui">Python Package
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sources. The latest source package is at the <a class="reference external" href="https://pypi.org/project/diffpy.pdfgui">Python Package
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Index</a> and the
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prior versions are at
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<a class="reference external" href="https://github.com/diffpy/diffpy.pdfgui/releases">https://github.com/diffpy/diffpy.pdfgui/releases</a>. See the <a class="reference external" href="https://github.com/diffpy/diffpy.pdfgui#pdfgui">README</a> document

products/xinterpdf.html

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<h3>Installation<a class="headerlink" href="#installation" title="Permalink to this headline"></a></h3>
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<p>xINTERPDF can be installed on Linux and Mac OS machines. The recommended
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way to install this package is through conda. Please visit
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<a class="reference external" href="https://www.anaconda.com/download">https://www.anaconda.com/download</a>, and select Python 2.7 version
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<a class="reference external" href="https://www.anaconda.com/distribution">https://www.anaconda.com/distribution</a>, and select Python 2.7 version
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to download and install. Once conda is installed, you can follow the
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steps below to install xINTERPDF.</p>
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<p><em>Step 1: Add the diffpy conda channel to your conda configuration.</em></p>

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