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            <h1 class="title"><a href="posts/webmol.html">WebMol</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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           <li><a class="tag p-category" href="categories/3d-viewer.html" rel="tag">3D Viewer</a></li>
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                <p>WebMol is a Java-based PDB Viewer which can run as an applet in a web browser.</p>
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            <h1 class="title"><a href="posts/what-if.html">WHAT IF</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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                <p>WHAT IF is a versatile protein structure analysis program that can be used for mutant prediction, structure verification, molecular graphics, displaying the results of GROMACS calculations, analyse electron density maps, and much more.</p>
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            <h1 class="title"><a href="posts/wien2k.html">WIEN2k</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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           <li><a class="tag p-category" href="categories/quantum-mechanics.html" rel="tag">Quantum Mechanics</a></li>
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                <p>WIEN2k allows the user to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, one of the most accurate schemes for band structure calculations.</p>
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            <h1 class="title"><a href="posts/wodca.html">WODCA</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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                <p>WODCA (World of Computer Assisted Synthesis Planning or Workbench for the Organization of Data for Chemical Applications) is a computer program for the interactive planning of organic syntheses, in particular, for the planning of organic syntheses in a retrosynthetic approach. Built-in catalogs of fine chemicals like those from Acros Organics or Fluka Chemical Company provide suitable starting materials for a synthesis target.</p>
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            <h1 class="title"><a href="posts/x-util.html">X-UTIL</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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           <li><a class="tag p-category" href="categories/crystallography.html" rel="tag">Crystallography</a></li>
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                <p>X-UTIL is a set of utility programs intended for (but not limited to) practising protein crystallographers.</p>
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            <h1 class="title"><a href="posts/xchemedit.html">XChemEdit</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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                <p>XChemEdit is a package of programs which can draw and edit three-dimensional chemical structures; serve as a graphical interface to the GAUSSIAN, JAGUAR, MOPAC, and BOSS/MCPRO programs; display molecular orbitals, electron densities, and electrostatic potentials; animate normal mode vibrations; and compute solvent-accessible surface area, volume, and thermochemical properties.</p>
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            <h1 class="title"><a href="posts/xcombust.html">XCombust</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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                <p>Who in chemistry never experienced the following: You get your sample back from the analytical department and look shyly at the elemental analysis data - and they are way off. So what usually happens is that one tries to make the numbers fit by postulating solvent inclusion (like 1 mol of EtOH) and then get stressed out with a desktop calculator. That's where this tiny shiny utility comes into play.</p>
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            <h1 class="title"><a href="posts/xcrysden.html">XCrySDen</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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                <p>XCrySDens (Crystalline Structures and Density) is a crystalline and molecular structure visualisation program, which can superimpose isosurfaces and contours onto crystalline structures and interactively rotate and manipulate them. XCrySDens also provides a (partial) graphical user interface for CRYSTAL, and a visualisation system for PWscf and WIEN2k.</p>
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            <h1 class="title"><a href="posts/xdrawchem.html">XDrawChem</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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           <li><a class="tag p-category" href="categories/2d-draw.html" rel="tag">2D Draw</a></li>
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                <p>XDrawChem is 2D molecule drawing program. Some notable features include the ability to retrieve structures from a network database given the name or CAS number; it can predict predict proton and C13 NMR shifts; and it can interface with OpenBabel to read and write multiple file formats.</p>
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            <h1 class="title"><a href="posts/xeasy.html">XEASY</a></h1>
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                    <time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
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                <p>XEASY is a program to display and assign 2D, 3D, and 4D NMR spectra.</p>
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