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dir="ltr"><div class="shortdescription nomobile noexcerpt noprint searchaux" style="display:none">Visualization and modelling software</div> <style data-mw-deduplicate="TemplateStyles:r1257001546">.mw-parser-output .infobox-subbox{padding:0;border:none;margin:-3px;width:auto;min-width:100%;font-size:100%;clear:none;float:none;background-color:transparent}.mw-parser-output .infobox-3cols-child{margin:auto}.mw-parser-output .infobox .navbar{font-size:100%}@media screen{html.skin-theme-clientpref-night .mw-parser-output .infobox-full-data:not(.notheme)>div:not(.notheme)[style]{background:#1f1f23!important;color:#f8f9fa}}@media screen and (prefers-color-scheme:dark){html.skin-theme-clientpref-os .mw-parser-output .infobox-full-data:not(.notheme) div:not(.notheme){background:#1f1f23!important;color:#f8f9fa}}@media(min-width:640px){body.skin--responsive .mw-parser-output .infobox-table{display:table!important}body.skin--responsive .mw-parser-output .infobox-table>caption{display:table-caption!important}body.skin--responsive .mw-parser-output .infobox-table>tbody{display:table-row-group}body.skin--responsive .mw-parser-output .infobox-table tr{display:table-row!important}body.skin--responsive .mw-parser-output .infobox-table th,body.skin--responsive .mw-parser-output .infobox-table td{padding-left:inherit;padding-right:inherit}}</style><table class="infobox vevent"><caption class="infobox-title summary">VMD</caption><tbody><tr><td colspan="2" class="infobox-image logo"><span typeof="mw:File"><a href="/wiki/File:Vmd_screenshot.png" class="mw-file-description"><img src="//upload.wikimedia.org/wikipedia/commons/thumb/5/5a/Vmd_screenshot.png/275px-Vmd_screenshot.png" decoding="async" width="275" height="202" class="mw-file-element" srcset="//upload.wikimedia.org/wikipedia/commons/thumb/5/5a/Vmd_screenshot.png/413px-Vmd_screenshot.png 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/5/5a/Vmd_screenshot.png/550px-Vmd_screenshot.png 2x" data-file-width="1228" data-file-height="902" /></a></span><div class="infobox-caption">Screenshot of VMD 1.8.3.</div></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Programmer" title="Programmer">Original author(s)</a></th><td class="infobox-data">William Humphrey, Andrew Dalke, <a href="/wiki/Klaus_Schulten" title="Klaus Schulten">Klaus Schulten</a>, John Stone</td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Programmer" title="Programmer">Developer(s)</a></th><td class="infobox-data"><a href="/wiki/University_of_Illinois_at_Urbana%E2%80%93Champaign" class="mw-redirect" title="University of Illinois at Urbana–Champaign">University of Illinois at Urbana–Champaign</a></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;">Initial release</th><td class="infobox-data">July 4, 1995<span class="noprint">; 29 years ago</span><span style="display:none"> (<span class="bday dtstart published updated">1995-07-04</span>)</span></td></tr><tr style="display: none;"><td colspan="2" class="infobox-full-data"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1257001546"></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Software_release_life_cycle" title="Software release life cycle">Stable release</a></th><td class="infobox-data"><div style="margin:0px;">1.9.4 alpha 55 / October 2021<span class="noprint">; 3 years ago</span><span style="display:none"> (<span class="bday dtstart published updated">2021-10</span>)</span></div></td></tr><tr style="display:none"><td colspan="2"> </td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;">Written in</th><td class="infobox-data"><a href="/wiki/C_(programming_language)" title="C (programming language)">C</a></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Operating_system" title="Operating system">Operating system</a></th><td class="infobox-data"><a href="/wiki/MacOS" title="MacOS">macOS</a>, <a href="/wiki/Unix" title="Unix">Unix</a>, <a href="/wiki/Microsoft_Windows" title="Microsoft Windows">Windows</a></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;">Available in</th><td class="infobox-data">English</td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Software_categories#Categorization_approaches" title="Software categories">Type</a></th><td class="infobox-data"><a href="/wiki/Molecular_modelling" title="Molecular modelling">Molecular modelling</a></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;"><a href="/wiki/Software_license" title="Software license">License</a></th><td class="infobox-data">Distribution-specific<sup id="cite_ref-1" class="reference"><a href="#cite_note-1"><span class="cite-bracket">[</span>1<span class="cite-bracket">]</span></a></sup></td></tr><tr><th scope="row" class="infobox-label" style="white-space: nowrap;">Website</th><td class="infobox-data"><span class="url"><a rel="nofollow" class="external text" href="http://www.ks.uiuc.edu/Research/vmd">www<wbr />.ks<wbr />.uiuc<wbr />.edu<wbr />/Research<wbr />/vmd</a></span></td></tr></tbody></table> <figure typeof="mw:File/Thumb"><a href="/wiki/File:Aerosolized_SARS-CoV-2_Virion.png" class="mw-file-description"><img src="//upload.wikimedia.org/wikipedia/commons/thumb/4/43/Aerosolized_SARS-CoV-2_Virion.png/350px-Aerosolized_SARS-CoV-2_Virion.png" decoding="async" width="350" height="350" class="mw-file-element" srcset="//upload.wikimedia.org/wikipedia/commons/thumb/4/43/Aerosolized_SARS-CoV-2_Virion.png/525px-Aerosolized_SARS-CoV-2_Virion.png 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/4/43/Aerosolized_SARS-CoV-2_Virion.png/700px-Aerosolized_SARS-CoV-2_Virion.png 2x" data-file-width="4096" data-file-height="4096" /></a><figcaption>VMD visualization of a 1-billion atom aerosolized SARS-CoV-2 virion, rendered with <a href="/wiki/Tachyon_(software)" title="Tachyon (software)">Tachyon</a> on a workstation with 1TB RAM.</figcaption></figure> <p><b>Visual Molecular Dynamics</b> (<b>VMD</b>) is a <a href="/wiki/Molecular_modelling" title="Molecular modelling">molecular modelling</a> and <a href="/wiki/Visualization_(computer_graphics)" class="mw-redirect" title="Visualization (computer graphics)">visualization</a> <a href="/wiki/Computer_program" title="Computer program">computer program</a>.<sup id="cite_ref-Humphrey_2-0" class="reference"><a href="#cite_note-Humphrey-2"><span class="cite-bracket">[</span>2<span class="cite-bracket">]</span></a></sup> VMD is developed mainly as a tool to view and analyze the results of molecular dynamics simulations. It also includes tools for working with volumetric data, sequence data, and arbitrary graphics objects. Molecular scenes can be exported to external rendering tools such as <a href="/wiki/POV-Ray" title="POV-Ray">POV-Ray</a>, <a href="/wiki/RenderMan_(software)" class="mw-redirect" title="RenderMan (software)">RenderMan</a>, <a href="/wiki/Tachyon_(software)" title="Tachyon (software)">Tachyon</a>, Virtual Reality Modeling Language (<a href="/wiki/VRML" title="VRML">VRML</a>), and many others. Users can run their own <a href="/wiki/Tcl" title="Tcl">Tcl</a> and <a href="/wiki/Python_(programming_language)" title="Python (programming language)">Python</a> scripts within VMD as it includes embedded Tcl and Python interpreters. VMD runs on <a href="/wiki/Unix" title="Unix">Unix</a>, Apple Mac <a href="/wiki/MacOS" title="MacOS">macOS</a>, and <a href="/wiki/Microsoft_Windows" title="Microsoft Windows">Microsoft Windows</a>.<sup id="cite_ref-UserGuide_3-0" class="reference"><a href="#cite_note-UserGuide-3"><span class="cite-bracket">[</span>3<span class="cite-bracket">]</span></a></sup> VMD is available to non-commercial users under a distribution-specific license which permits both use of the program and modification of its source code, at no charge.<sup id="cite_ref-License_4-0" class="reference"><a href="#cite_note-License-4"><span class="cite-bracket">[</span>4<span class="cite-bracket">]</span></a></sup> </p> <meta property="mw:PageProp/toc" /> <div class="mw-heading mw-heading2"><h2 id="History">History</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Visual_Molecular_Dynamics&action=edit&section=1" title="Edit section: History"><span>edit</span></a><span class="mw-editsection-bracket">]</span></span></div> <figure typeof="mw:File/Thumb"><a href="/wiki/File:Satellite_tobacco_mosaic_virus_rendering_produced_by_VMD_and_Tachyon.jpg" class="mw-file-description"><img src="//upload.wikimedia.org/wikipedia/commons/thumb/9/98/Satellite_tobacco_mosaic_virus_rendering_produced_by_VMD_and_Tachyon.jpg/350px-Satellite_tobacco_mosaic_virus_rendering_produced_by_VMD_and_Tachyon.jpg" decoding="async" width="350" height="350" class="mw-file-element" srcset="//upload.wikimedia.org/wikipedia/commons/thumb/9/98/Satellite_tobacco_mosaic_virus_rendering_produced_by_VMD_and_Tachyon.jpg/525px-Satellite_tobacco_mosaic_virus_rendering_produced_by_VMD_and_Tachyon.jpg 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/9/98/Satellite_tobacco_mosaic_virus_rendering_produced_by_VMD_and_Tachyon.jpg/700px-Satellite_tobacco_mosaic_virus_rendering_produced_by_VMD_and_Tachyon.jpg 2x" data-file-width="2048" data-file-height="2048" /></a><figcaption>Satellite tobacco mosaic virus molecular graphics produced in VMD and rendered using <a href="/wiki/Tachyon_(software)" title="Tachyon (software)">Tachyon</a>. The scene is shown with a combination molecular surfaces colored by a radial distance, and <a href="/wiki/Nucleic_acid" title="Nucleic acid">nucleic acids</a> shown in ribbon representations. The Tachyon rendering uses both direct lighting and ambient occlusion lighting to improve the visibility of pockets and cavities. The VMD axes are shown as a simple example of rendering of non-molecular geometry.</figcaption></figure><p>VMD has been developed under the aegis of principal investigator <a href="/wiki/Klaus_Schulten" title="Klaus Schulten">Klaus Schulten</a> in the Theoretical and Computational Biophysics group at the <a href="/wiki/Beckman_Institute_for_Advanced_Science_and_Technology" title="Beckman Institute for Advanced Science and Technology">Beckman Institute for Advanced Science and Technology</a>, <a href="/wiki/University_of_Illinois_at_Urbana%E2%80%93Champaign" class="mw-redirect" title="University of Illinois at Urbana–Champaign">University of Illinois at Urbana–Champaign</a>.<sup id="cite_ref-RR05969_5-0" class="reference"><a href="#cite_note-RR05969-5"><span class="cite-bracket">[</span>5<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-P41RR005969_6-0" class="reference"><a href="#cite_note-P41RR005969-6"><span class="cite-bracket">[</span>6<span class="cite-bracket">]</span></a></sup> A precursor program, called VRChem, was developed in 1992 by Mike Krogh, William Humphrey, and Rick Kufrin. The initial version of VMD was written by William Humphrey, Andrew Dalke, Ken Hamer, Jon Leech, and James Phillips.<sup id="cite_ref-Releases_7-0" class="reference"><a href="#cite_note-Releases-7"><span class="cite-bracket">[</span>7<span class="cite-bracket">]</span></a></sup> It was released in 1995.<sup id="cite_ref-Releases_7-1" class="reference"><a href="#cite_note-Releases-7"><span class="cite-bracket">[</span>7<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-Bishop_8-0" class="reference"><a href="#cite_note-Bishop-8"><span class="cite-bracket">[</span>8<span class="cite-bracket">]</span></a></sup> The earliest versions of VMD were developed for <a href="/wiki/Silicon_Graphics" title="Silicon Graphics">Silicon Graphics</a> workstations and could also run in a <a href="/wiki/Cave_automatic_virtual_environment" title="Cave automatic virtual environment">cave automatic virtual environment</a> (CAVE) and communicate with a Nanoscale Molecular Dynamics (<a href="/wiki/NAMD" title="NAMD">NAMD</a>) simulation.<sup id="cite_ref-Humphrey_2-1" class="reference"><a href="#cite_note-Humphrey-2"><span class="cite-bracket">[</span>2<span class="cite-bracket">]</span></a></sup> VMD was further developed by A. Dalke, W. Humphrey, J. Ulrich in 1995–1996, followed by Sergei Izrailev and J. Stone during 1997–1998. In 1998, John Stone became the main VMD developer, porting VMD to many other <a href="/wiki/Unix" title="Unix">Unix</a> operating systems and completing the first full-featured <a href="/wiki/OpenGL" title="OpenGL">OpenGL</a> version.<sup id="cite_ref-VMD1.3_9-0" class="reference"><a href="#cite_note-VMD1.3-9"><span class="cite-bracket">[</span>9<span class="cite-bracket">]</span></a></sup> The first version of VMD for the <a href="/wiki/Microsoft_Windows" title="Microsoft Windows">Microsoft Windows</a> platform was released in 1999.<sup id="cite_ref-VMD1.4_10-0" class="reference"><a href="#cite_note-VMD1.4-10"><span class="cite-bracket">[</span>10<span class="cite-bracket">]</span></a></sup> In 2001, Justin Gullingsrud, and Paul Grayson, and John Stone added support for <a href="/wiki/Haptic_technology" title="Haptic technology">haptic feedback</a> devices and further developing the interface between VMD and <a href="/wiki/NAMD" title="NAMD">NAMD</a> for performing interactive molecular dynamics simulations.<sup id="cite_ref-2001ACM_11-0" class="reference"><a href="#cite_note-2001ACM-11"><span class="cite-bracket">[</span>11<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-Dreher_12-0" class="reference"><a href="#cite_note-Dreher-12"><span class="cite-bracket">[</span>12<span class="cite-bracket">]</span></a></sup> In subsequent developments, Jordi Cohen, Gullingsrud, and Stone entirely rewrote the graphical user interfaces, added built-in support for display and processing of volumetric data,<sup id="cite_ref-VMD1.8_13-0" class="reference"><a href="#cite_note-VMD1.8-13"><span class="cite-bracket">[</span>13<span class="cite-bracket">]</span></a></sup> and the use of <a href="/wiki/OpenGL_Shading_Language" title="OpenGL Shading Language">OpenGL Shading Language</a>.<sup id="cite_ref-VMD1.8.7_14-0" class="reference"><a href="#cite_note-VMD1.8.7-14"><span class="cite-bracket">[</span>14<span class="cite-bracket">]</span></a></sup> </p><div class="mw-heading mw-heading2"><h2 id="Interprocess_communication">Interprocess communication</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Visual_Molecular_Dynamics&action=edit&section=2" title="Edit section: Interprocess communication"><span>edit</span></a><span class="mw-editsection-bracket">]</span></span></div> <p>VMD can communicate with other programs via <a href="/wiki/Tcl" title="Tcl">Tcl</a>/<a href="/wiki/Tk_(framework)" class="mw-redirect" title="Tk (framework)">Tk</a>.<sup id="cite_ref-UserGuide_3-1" class="reference"><a href="#cite_note-UserGuide-3"><span class="cite-bracket">[</span>3<span class="cite-bracket">]</span></a></sup> This communication allows the development of several external plugins that works together with VMD. These plugins increases the set of features and tools of VMD making it one of the most used software in <a href="/wiki/Computational_chemistry" title="Computational chemistry">computational chemistry</a>, biology, and biochemistry. </p><p>Here is a list of some VMD plugins developed using Tcl/Tk: </p> <ul><li>Delphi Force — electrostatic force calculation and visualization<sup id="cite_ref-15" class="reference"><a href="#cite_note-15"><span class="cite-bracket">[</span>15<span class="cite-bracket">]</span></a></sup></li> <li>Pathways Plugin — identify dominant electron transfer pathways and estimate donor-to-acceptor electronic tunneling</li> <li>Check Sidechains Plugin — checks and helps select best orientation and protonation state for Asn, Gln, and His side chains</li> <li>MultiMSMS Plugin — caches MSMS calculations to speedup the animation of a sequence of frames</li> <li>Interactive Essential Dynamics — Interactive visualization of essential dynamics</li> <li>Mead Ionize — Improved version of autoionize for highly charged systems</li> <li>Andriy Anishkin's VMD Scripts — Many useful VMD scripts for visualization and analysis</li> <li>RMSD Trajectory Tool — Development version of RMSD plugin for trajectories</li> <li>Clustering Tool — Visualize clusters of conformations of a structure</li> <li>iTrajComp — interactive Trajectory Comparison tool</li> <li>Swap — Atomic coordinate swapping for improved RMSD alignment</li> <li>Intervor — Protein-Protein interface extraction and display</li> <li>SurfVol — Measure surface area and volume of proteins<sup id="cite_ref-16" class="reference"><a href="#cite_note-16"><span class="cite-bracket">[</span>16<span class="cite-bracket">]</span></a></sup></li> <li>vmdICE — Plugin for computing RMSD, RMSF, SASA, and other time-varying quantities<sup id="cite_ref-17" class="reference"><a href="#cite_note-17"><span class="cite-bracket">[</span>17<span class="cite-bracket">]</span></a></sup></li> <li>molUP - A VMD plugin to handle QM and ONIOM calculations using the gaussian software<sup id="cite_ref-18" class="reference"><a href="#cite_note-18"><span class="cite-bracket">[</span>18<span class="cite-bracket">]</span></a></sup></li> <li>VMD Store - A VMD extensions that helps users to discover, install, and update other VMD plugins.<sup id="cite_ref-19" class="reference"><a href="#cite_note-19"><span class="cite-bracket">[</span>19<span class="cite-bracket">]</span></a></sup></li></ul> <div class="mw-heading mw-heading2"><h2 id="See_also">See also</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Visual_Molecular_Dynamics&action=edit&section=3" title="Edit section: See also"><span>edit</span></a><span class="mw-editsection-bracket">]</span></span></div> <style data-mw-deduplicate="TemplateStyles:r1184024115">.mw-parser-output .div-col{margin-top:0.3em;column-width:30em}.mw-parser-output .div-col-small{font-size:90%}.mw-parser-output .div-col-rules{column-rule:1px solid #aaa}.mw-parser-output .div-col dl,.mw-parser-output .div-col ol,.mw-parser-output .div-col ul{margin-top:0}.mw-parser-output .div-col li,.mw-parser-output .div-col dd{page-break-inside:avoid;break-inside:avoid-column}</style><div class="div-col" style="column-width: 30em;"> <ul><li><a href="/wiki/List_of_molecular_graphics_systems" title="List of molecular graphics systems">List of molecular graphics systems</a></li> <li><a href="/wiki/Comparison_of_software_for_molecular_mechanics_modeling" title="Comparison of software for molecular mechanics modeling">Comparison of software for molecular mechanics modeling</a></li> <li><a href="/wiki/Molecular_dynamics" title="Molecular dynamics">Molecular dynamics</a></li> <li><a href="/wiki/Grace_(plotting_tool)" title="Grace (plotting tool)">Grace (plotting tool)</a></li> <li><a href="/wiki/Ascalaph_Designer" title="Ascalaph Designer">Ascalaph Designer</a></li> <li><a href="/wiki/Tachyon_(software)" title="Tachyon (software)">Tachyon (software)</a></li> <li><a href="/wiki/VRPN" title="VRPN">VRPN</a></li></ul></div> <div class="mw-heading mw-heading2"><h2 id="References">References</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Visual_Molecular_Dynamics&action=edit&section=4" title="Edit section: References"><span>edit</span></a><span class="mw-editsection-bracket">]</span></span></div> <style data-mw-deduplicate="TemplateStyles:r1239543626">.mw-parser-output .reflist{margin-bottom:0.5em;list-style-type:decimal}@media screen{.mw-parser-output .reflist{font-size:90%}}.mw-parser-output .reflist .references{font-size:100%;margin-bottom:0;list-style-type:inherit}.mw-parser-output .reflist-columns-2{column-width:30em}.mw-parser-output .reflist-columns-3{column-width:25em}.mw-parser-output .reflist-columns{margin-top:0.3em}.mw-parser-output .reflist-columns ol{margin-top:0}.mw-parser-output .reflist-columns li{page-break-inside:avoid;break-inside:avoid-column}.mw-parser-output .reflist-upper-alpha{list-style-type:upper-alpha}.mw-parser-output .reflist-upper-roman{list-style-type:upper-roman}.mw-parser-output .reflist-lower-alpha{list-style-type:lower-alpha}.mw-parser-output .reflist-lower-greek{list-style-type:lower-greek}.mw-parser-output .reflist-lower-roman{list-style-type:lower-roman}</style><div class="reflist"> <div class="mw-references-wrap mw-references-columns"><ol class="references"> <li id="cite_note-1"><span class="mw-cite-backlink"><b><a href="#cite_ref-1">^</a></b></span> <span class="reference-text"><a rel="nofollow" class="external text" href="http://www.ks.uiuc.edu/Research/vmd/current/LICENSE.html">VMD license</a></span> </li> <li id="cite_note-Humphrey-2"><span class="mw-cite-backlink">^ <a href="#cite_ref-Humphrey_2-0"><sup><i><b>a</b></i></sup></a> <a href="#cite_ref-Humphrey_2-1"><sup><i><b>b</b></i></sup></a></span> <span class="reference-text"><style data-mw-deduplicate="TemplateStyles:r1238218222">.mw-parser-output cite.citation{font-style:inherit;word-wrap:break-word}.mw-parser-output .citation q{quotes:"\"""\"""'""'"}.mw-parser-output .citation:target{background-color:rgba(0,127,255,0.133)}.mw-parser-output .id-lock-free.id-lock-free a{background:url("//upload.wikimedia.org/wikipedia/commons/6/65/Lock-green.svg")right 0.1em center/9px no-repeat}.mw-parser-output .id-lock-limited.id-lock-limited a,.mw-parser-output .id-lock-registration.id-lock-registration a{background:url("//upload.wikimedia.org/wikipedia/commons/d/d6/Lock-gray-alt-2.svg")right 0.1em center/9px no-repeat}.mw-parser-output .id-lock-subscription.id-lock-subscription a{background:url("//upload.wikimedia.org/wikipedia/commons/a/aa/Lock-red-alt-2.svg")right 0.1em center/9px no-repeat}.mw-parser-output .cs1-ws-icon a{background:url("//upload.wikimedia.org/wikipedia/commons/4/4c/Wikisource-logo.svg")right 0.1em center/12px no-repeat}body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .id-lock-free a,body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .id-lock-limited a,body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .id-lock-registration a,body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .id-lock-subscription a,body:not(.skin-timeless):not(.skin-minerva) .mw-parser-output .cs1-ws-icon a{background-size:contain;padding:0 1em 0 0}.mw-parser-output .cs1-code{color:inherit;background:inherit;border:none;padding:inherit}.mw-parser-output .cs1-hidden-error{display:none;color:var(--color-error,#d33)}.mw-parser-output .cs1-visible-error{color:var(--color-error,#d33)}.mw-parser-output .cs1-maint{display:none;color:#085;margin-left:0.3em}.mw-parser-output .cs1-kern-left{padding-left:0.2em}.mw-parser-output .cs1-kern-right{padding-right:0.2em}.mw-parser-output .citation .mw-selflink{font-weight:inherit}@media screen{.mw-parser-output .cs1-format{font-size:95%}html.skin-theme-clientpref-night .mw-parser-output .cs1-maint{color:#18911f}}@media screen and (prefers-color-scheme:dark){html.skin-theme-clientpref-os .mw-parser-output .cs1-maint{color:#18911f}}</style><cite id="CITEREFHumphreyDalkeSchulten1996" class="citation journal cs1">Humphrey, William; Dalke, Andrew; Schulten, Klaus (February 1996). "VMD: Visual molecular dynamics". <i>Journal of Molecular Graphics</i>. <b>14</b> (1): 33–38. <a href="/wiki/Doi_(identifier)" class="mw-redirect" title="Doi (identifier)">doi</a>:<a rel="nofollow" class="external text" href="https://doi.org/10.1016%2F0263-7855%2896%2900018-5">10.1016/0263-7855(96)00018-5</a>. <a href="/wiki/PMID_(identifier)" class="mw-redirect" title="PMID (identifier)">PMID</a> <a rel="nofollow" class="external text" href="https://pubmed.ncbi.nlm.nih.gov/8744570">8744570</a>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.jtitle=Journal+of+Molecular+Graphics&rft.atitle=VMD%3A+Visual+molecular+dynamics&rft.volume=14&rft.issue=1&rft.pages=33-38&rft.date=1996-02&rft_id=info%3Adoi%2F10.1016%2F0263-7855%2896%2900018-5&rft_id=info%3Apmid%2F8744570&rft.aulast=Humphrey&rft.aufirst=William&rft.au=Dalke%2C+Andrew&rft.au=Schulten%2C+Klaus&rfr_id=info%3Asid%2Fen.wikipedia.org%3AVisual+Molecular+Dynamics" class="Z3988"></span></span> </li> <li id="cite_note-UserGuide-3"><span class="mw-cite-backlink">^ <a href="#cite_ref-UserGuide_3-0"><sup><i><b>a</b></i></sup></a> <a href="#cite_ref-UserGuide_3-1"><sup><i><b>b</b></i></sup></a></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite class="citation web cs1"><a rel="nofollow" class="external text" href="http://web.mit.edu/vmd_v1.9.1/ug.pdf">"VMD User's Guide Version 1.9.1"</a> <span class="cs1-format">(PDF)</span>. <i>Massachusetts Institute of Technology</i>. NIH Resource for Macromolecular Modeling and Bioinformatics<span class="reference-accessdate">. Retrieved <span class="nowrap">January 29,</span> 2012</span>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=unknown&rft.jtitle=Massachusetts+Institute+of+Technology&rft.atitle=VMD+User%27s+Guide+Version+1.9.1&rft_id=http%3A%2F%2Fweb.mit.edu%2Fvmd_v1.9.1%2Fug.pdf&rfr_id=info%3Asid%2Fen.wikipedia.org%3AVisual+Molecular+Dynamics" class="Z3988"></span></span> </li> <li id="cite_note-License-4"><span class="mw-cite-backlink"><b><a href="#cite_ref-License_4-0">^</a></b></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite class="citation web cs1"><a rel="nofollow" class="external text" href="http://www.ks.uiuc.edu/Research/vmd/current/LICENSE.html">"VMD License"</a>. <i>Theoretical and Computational Biophysics Group</i>. NIH Center for Macromolecular Modeling & Bioinformatics, University of Illinois at Urbana–Champaign<span class="reference-accessdate">. Retrieved <span class="nowrap">4 January</span> 2016</span>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=unknown&rft.jtitle=Theoretical+and+Computational+Biophysics+Group&rft.atitle=VMD+License&rft_id=http%3A%2F%2Fwww.ks.uiuc.edu%2FResearch%2Fvmd%2Fcurrent%2FLICENSE.html&rfr_id=info%3Asid%2Fen.wikipedia.org%3AVisual+Molecular+Dynamics" class="Z3988"></span></span> </li> <li id="cite_note-RR05969-5"><span class="mw-cite-backlink"><b><a href="#cite_ref-RR05969_5-0">^</a></b></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite id="CITEREFSchulten" class="citation web cs1">Schulten, Klaus. <a rel="nofollow" class="external text" href="http://www.ks.uiuc.edu/Publications/Reports/nihreport/NIHreport1996.pdf">"Department of Health and Human Services Public Health Service National Institutes of Health NIH Resource Biomedical Research Technology Program Annual Progress Report, Grant Number P41 RR05969"</a> <span class="cs1-format">(PDF)</span>. <i>University of Illinois at Urbana–Champaign</i><span class="reference-accessdate">. Retrieved <span class="nowrap">5 January</span> 2016</span>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=unknown&rft.jtitle=University+of+Illinois+at+Urbana%E2%80%93Champaign&rft.atitle=Department+of+Health+and+Human+Services+Public+Health+Service+National+Institutes+of+Health+NIH+Resource+Biomedical+Research+Technology+Program+Annual+Progress+Report%2C+Grant+Number+P41+RR05969&rft.aulast=Schulten&rft.aufirst=Klaus&rft_id=http%3A%2F%2Fwww.ks.uiuc.edu%2FPublications%2FReports%2Fnihreport%2FNIHreport1996.pdf&rfr_id=info%3Asid%2Fen.wikipedia.org%3AVisual+Molecular+Dynamics" class="Z3988"></span></span> </li> <li id="cite_note-P41RR005969-6"><span class="mw-cite-backlink"><b><a href="#cite_ref-P41RR005969_6-0">^</a></b></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite id="CITEREFSchulten" class="citation web cs1">Schulten, Klaus J. <a rel="nofollow" class="external text" href="http://www.ks.uiuc.edu/Publications/Reports/nihreport/NIHreport2011.pdf">"Department of Health and Human Services Public Health Service National Institutes of Health National Center for Research Resources Biomedical Technology Area Annual Progress Report (8/1/10 – 7/31/11), Grant Number P41RR005969"</a> <span class="cs1-format">(PDF)</span>. <i>University of Illinois at Urbana–Champaign</i><span class="reference-accessdate">. Retrieved <span class="nowrap">5 January</span> 2016</span>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=unknown&rft.jtitle=University+of+Illinois+at+Urbana%E2%80%93Champaign&rft.atitle=Department+of+Health+and+Human+Services+Public+Health+Service+National+Institutes+of+Health+National+Center+for+Research+Resources+Biomedical+Technology+Area+Annual+Progress+Report+%288%2F1%2F10+%E2%80%93+7%2F31%2F11%29%2C+Grant+Number+P41RR005969&rft.aulast=Schulten&rft.aufirst=Klaus+J.&rft_id=http%3A%2F%2Fwww.ks.uiuc.edu%2FPublications%2FReports%2Fnihreport%2FNIHreport2011.pdf&rfr_id=info%3Asid%2Fen.wikipedia.org%3AVisual+Molecular+Dynamics" class="Z3988"></span></span> </li> <li id="cite_note-Releases-7"><span class="mw-cite-backlink">^ <a href="#cite_ref-Releases_7-0"><sup><i><b>a</b></i></sup></a> <a href="#cite_ref-Releases_7-1"><sup><i><b>b</b></i></sup></a></span> <span class="reference-text"><link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r1238218222"><cite class="citation web cs1"><a rel="nofollow" class="external text" href="http://www.ks.uiuc.edu/Research/vmd/allversions/release_history.html">"VMD Release History"</a>. <i>Theoretical and Computational Biophysics Group</i>. 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href="https://api.semanticscholar.org/CorpusID:207893960">207893960</a>.</cite><span title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.jtitle=Journal+of+Chemical+Information+and+Modeling&rft.atitle=VMD+Store%E2%80%93A+VMD+Plugin+to+Browse%2C+Discover%2C+and+Install+VMD+Extensions&rft.volume=59&rft.issue=11&rft.pages=4519-4523&rft.date=2019-11-25&rft.issn=1549-9596&rft_id=https%3A%2F%2Fapi.semanticscholar.org%2FCorpusID%3A207893960%23id-name%3DS2CID&rft_id=info%3Apmid%2F31682440&rft_id=info%3Adoi%2F10.1021%2Facs.jcim.9b00739&rft.aulast=Fernandes&rft.aufirst=Henrique+S.&rft.au=Sousa%2C+S%C3%A9rgio+F.&rft.au=Cerqueira%2C+Nuno+M.+F.+S.+A.&rft_id=https%3A%2F%2Fpubs.acs.org%2Fdoi%2Fabs%2F10.1021%2Facs.jcim.9b00739&rfr_id=info%3Asid%2Fen.wikipedia.org%3AVisual+Molecular+Dynamics" class="Z3988"></span></span> </li> </ol></div></div> <div class="mw-heading mw-heading2"><h2 id="External_links">External links</h2><span class="mw-editsection"><span 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id="Computational_chemistry_software" style="font-size:114%;margin:0 4em"><a href="/wiki/Computational_chemistry" title="Computational chemistry">Computational chemistry</a> software</div></th></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Cheminformatics" title="Cheminformatics">Cheminformatics</a></th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"></div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Free_software" title="Free software">Free software</a></th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li>Avalon Cheminformatics Toolkit</li> <li><a href="/wiki/Bioclipse" title="Bioclipse">Bioclipse</a></li> <li><a href="/wiki/Blue_Obelisk" title="Blue Obelisk">Blue Obelisk</a></li> <li><a href="/wiki/Chemistry_Development_Kit" title="Chemistry Development Kit">Chemistry Development Kit</a></li> <li><a href="/wiki/Extensible_Computational_Chemistry_Environment" title="Extensible Computational Chemistry Environment">ECCE</a></li> <li><a href="/wiki/JOELib" title="JOELib">JOELib</a></li> <li><a href="/wiki/OELib" title="OELib">OELib</a></li> <li><a href="/wiki/Open_Babel" title="Open Babel">Open Babel</a></li> <li><a href="/wiki/RDKit" title="RDKit">RDKit</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Proprietary_software" title="Proprietary software">Proprietary</a></th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Schr%C3%B6dinger_(company)" class="mw-redirect" title="Schrödinger (company)">Canvas</a></li> <li><a href="/wiki/Chemicalize" title="Chemicalize">Chemicalize</a></li> <li><a href="/wiki/Discovery_Studio" title="Discovery Studio">Discovery Studio</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Chemical_kinetics" title="Chemical kinetics">Chemical kinetics</a></th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"></div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%">Free software</th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/APBS_(software)" title="APBS (software)">APBS</a></li> <li><a href="/wiki/Cantera_(software)" title="Cantera (software)">Cantera</a></li> <li><a href="/wiki/Kinetic_PreProcessor" title="Kinetic PreProcessor">KPP</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Proprietary</th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Autochem" title="Autochem">Autochem</a></li> <li><a href="/wiki/Chemical_WorkBench" title="Chemical WorkBench">Chemical WorkBench</a></li> <li><a href="/wiki/CHEMKIN" title="CHEMKIN">CHEMKIN</a></li> <li><a href="/wiki/COSILAB" title="COSILAB">COSILAB</a></li> <li><a href="/wiki/DelPhi_(software)" class="mw-redirect" title="DelPhi (software)">DelPhi</a></li> <li><a href="/wiki/Khimera" title="Khimera">Khimera</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Molecular_modelling" title="Molecular modelling">Molecular modelling</a> <br /> and <br /> <a href="/wiki/Visualization_(graphics)" title="Visualization (graphics)">visualization</a></th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"><a href="/wiki/List_of_molecular_graphics_systems" title="List of molecular graphics systems">List of molecular graphics systems</a> </div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%">Free software</th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Ascalaph_Designer" title="Ascalaph Designer">Ascalaph Designer</a></li> <li><a href="/wiki/Avogadro_(software)" title="Avogadro (software)">Avogadro</a></li> <li><a href="/wiki/BALL" title="BALL">BALL</a></li> <li><a href="/wiki/Biskit" title="Biskit">Biskit</a></li> <li><a href="/wiki/Gabedit" title="Gabedit">Gabedit</a></li> <li><a href="/wiki/Ghemical" title="Ghemical">Ghemical</a></li> <li><a href="/wiki/Jmol" title="Jmol">Jmol</a></li> <li><a href="/wiki/Molekel" title="Molekel">Molekel</a></li> <li><a href="/wiki/PyMOL" title="PyMOL">PyMOL</a></li> <li><a href="/wiki/QuteMol" title="QuteMol">QuteMol</a></li> <li><a href="/wiki/RasMol" title="RasMol">RasMol</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Proprietary</th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Abalone_(molecular_mechanics)" title="Abalone (molecular mechanics)">Abalone</a></li> <li><a href="/wiki/ACD/ChemSketch" title="ACD/ChemSketch">ACD/ChemSketch</a></li> <li><a href="/wiki/Atomistix_ToolKit" title="Atomistix ToolKit">Atomistix ToolKit</a></li> <li><a href="/wiki/ChemDraw" title="ChemDraw">ChemDraw</a></li> <li><a href="/wiki/ChemWindow" title="ChemWindow">ChemWindow</a></li> <li><a href="/wiki/EzMol" title="EzMol">EzMol</a></li> <li><a href="/wiki/Gaussian_(software)" title="Gaussian (software)">Gaussian</a></li> <li><a href="/wiki/Schr%C3%B6dinger_(company)" class="mw-redirect" title="Schrödinger (company)">Maestro</a></li> <li><a href="/wiki/MarvinSketch" class="mw-redirect" title="MarvinSketch">MarvinSketch</a></li> <li><a href="/wiki/MarvinView" class="mw-redirect" title="MarvinView">MarvinView</a></li> <li><a href="/wiki/MODELLER" title="MODELLER">MODELLER</a></li> <li><a href="/wiki/Molecular_Operating_Environment" title="Molecular Operating Environment">Molecular Operating Environment</a></li> <li><a href="/wiki/SAMSON" title="SAMSON">SAMSON</a></li> <li><a href="/wiki/Spartan_(chemistry_software)" title="Spartan (chemistry software)">Spartan</a></li> <li><a href="/wiki/UCSF_Chimera" title="UCSF Chimera">UCSF Chimera</a></li> <li><a class="mw-selflink selflink">VMD</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Docking_(molecular)" title="Docking (molecular)">Molecular docking</a></th><td class="navbox-list-with-group navbox-list navbox-even hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"><a href="/wiki/List_of_protein-ligand_docking_software" title="List of protein-ligand docking software">List of protein-ligand docking software</a> </div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Free_software" title="Free software">Free software</a></th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/AutoDock" title="AutoDock">AutoDock</a></li> <li><a href="/wiki/AutoDock_Vina" class="mw-redirect" title="AutoDock Vina">AutoDock Vina</a></li> <li><a href="/wiki/FlexAID" title="FlexAID">FlexAID</a></li> <li><a href="/wiki/RDock" title="RDock">rDock</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Proprietary_software" title="Proprietary software">Proprietary</a></th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Glide_(docking)" title="Glide (docking)">Glide</a></li> <li><a href="/wiki/LeDock" title="LeDock">LeDock</a></li> <li><a href="/wiki/Molecular_Operating_Environment" title="Molecular Operating Environment">Molecular Operating Environment</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Molecular_dynamics" title="Molecular dynamics">Molecular dynamics</a></th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"></div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Free_software" title="Free software">Free software</a></th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/CP2K" title="CP2K">CP2K</a></li> <li><a href="/wiki/GROMACS" title="GROMACS">GROMACS</a></li> <li><a href="/wiki/LAMMPS" title="LAMMPS">LAMMPS</a></li> <li><a href="/wiki/OpenMM" title="OpenMM">OpenMM</a></li> <li><a href="/wiki/PLUMED" title="PLUMED">PLUMED</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Proprietary_software" title="Proprietary software">Proprietary</a></th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Abalone_(molecular_mechanics)" title="Abalone (molecular mechanics)">Abalone</a></li> <li><a href="/wiki/AMBER" title="AMBER">AMBER</a></li> <li><a href="/wiki/CHARMM" title="CHARMM">CHARMM</a></li> <li><a href="/wiki/Car%E2%80%93Parrinello_molecular_dynamics" title="Car–Parrinello molecular dynamics">CPMD</a></li> <li><a href="/wiki/Desmond_(software)" title="Desmond (software)">Desmond</a></li> <li><a href="/wiki/GROMOS" title="GROMOS">GROMOS</a></li> <li><a href="/wiki/NAMD" title="NAMD">NAMD</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Quantum_chemistry" title="Quantum chemistry">Quantum chemistry</a></th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"><a href="/wiki/List_of_quantum_chemistry_and_solid-state_physics_software" title="List of quantum chemistry and solid-state physics software">List of quantum chemistry and solid-state physics software</a> </div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%">Free software</th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/ABINIT" title="ABINIT">ABINIT</a></li> <li><a href="/wiki/ACES_(computational_chemistry)" title="ACES (computational chemistry)">ACES</a> (CFOUR)</li> <li><a href="/wiki/AIMAll" title="AIMAll">AIMAll</a></li> <li><a href="/wiki/BigDFT" title="BigDFT">BigDFT</a></li> <li><a href="/wiki/COLUMBUS" title="COLUMBUS">COLUMBUS</a></li> <li><a href="/wiki/CONQUEST" title="CONQUEST">CONQUEST</a></li> <li><a href="/wiki/CP2K" title="CP2K">CP2K</a></li> <li><a href="/wiki/Dalton_(program)" title="Dalton (program)">Dalton</a></li> <li><a href="/wiki/Dirac_(software)" title="Dirac (software)">DIRAC</a></li> <li><a href="/wiki/DP_code" title="DP code">DP code</a></li> <li><a href="/wiki/FLEUR" title="FLEUR">FLEUR</a></li> <li><a href="/wiki/FreeON" title="FreeON">FreeON</a></li> <li><a href="/wiki/MADNESS" title="MADNESS">MADNESS</a></li> <li><a href="/wiki/MOPAC" title="MOPAC">MOPAC</a></li> <li><a href="/wiki/MPQC" class="mw-redirect" title="MPQC">MPQC</a></li> <li><a href="/wiki/NWChem" title="NWChem">NWChem</a></li> <li><a href="/wiki/Octopus_(software)" title="Octopus (software)">Octopus</a></li> <li><a href="/wiki/MOLCAS" title="MOLCAS">OpenMolcas</a></li> <li><a href="/wiki/PARSEC" title="PARSEC">PARSEC</a></li> <li><a href="/wiki/PSI_(computational_chemistry)" title="PSI (computational chemistry)">PSI</a></li> <li><a href="/wiki/PyQuante" title="PyQuante">PyQuante</a></li> <li><a href="/wiki/PySCF" title="PySCF">PySCF</a></li> <li><a href="/wiki/Quantum_ESPRESSO" title="Quantum ESPRESSO">Quantum ESPRESSO</a> (PWscf)</li> <li><a href="/wiki/RMG_(program)" title="RMG (program)">RMG</a></li> <li><a href="/wiki/SIESTA_(computer_program)" title="SIESTA (computer program)">SIESTA</a></li> <li><a href="/wiki/Valence_bond_programs" title="Valence bond programs">VB2000</a></li> <li><a href="/wiki/YAMBO_code" title="YAMBO code">YAMBO code</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Proprietary</th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Amsterdam_Density_Functional" title="Amsterdam Density Functional">ADF</a></li> <li><a href="/wiki/AMPAC" title="AMPAC">AMPAC</a></li> <li><a href="/wiki/DMol3" title="DMol3">DMol3</a></li> <li><a href="/wiki/CADPAC" title="CADPAC">CADPAC</a></li> <li><a href="/wiki/CASINO" title="CASINO">CASINO</a></li> <li><a href="/wiki/CASTEP" title="CASTEP">CASTEP</a></li> <li><a href="/wiki/Car%E2%80%93Parrinello_molecular_dynamics" title="Car–Parrinello molecular dynamics">CPMD</a></li> <li><a href="/wiki/Valence_bond_programs" title="Valence bond programs">CRUNCH</a></li> <li><a href="/wiki/CRYSTAL_(software)" title="CRYSTAL (software)">CRYSTAL</a></li> <li><a href="/wiki/Firefly_(computer_program)" title="Firefly (computer program)">Firefly</a></li> <li><a href="/wiki/GAMESS_(UK)" title="GAMESS (UK)">GAMESS (UK)</a></li> <li><a href="/wiki/GAMESS_(US)" title="GAMESS (US)">GAMESS (US)</a></li> <li><a href="/wiki/Gaussian_(software)" title="Gaussian (software)">Gaussian</a></li> <li><a href="/wiki/Jaguar_(software)" title="Jaguar (software)">Jaguar</a></li> <li><a href="/wiki/MOLCAS" title="MOLCAS">MOLCAS</a></li> <li><a href="/wiki/MOLPRO" title="MOLPRO">MOLPRO</a></li> <li><a href="/wiki/ONETEP" title="ONETEP">ONETEP</a></li> <li><a href="/wiki/OpenAtom" title="OpenAtom">OpenAtom</a></li> <li><a href="/wiki/ORCA_(quantum_chemistry_program)" title="ORCA (quantum chemistry program)">ORCA</a></li> <li><a href="/wiki/PLATO_(computational_chemistry)" title="PLATO (computational chemistry)">PLATO</a></li> <li><a href="/wiki/PQS_(software)" title="PQS (software)">PQS</a></li> <li><a href="/wiki/Q-Chem" title="Q-Chem">Q-Chem</a></li> <li><a href="/wiki/Quantemol" title="Quantemol">Quantemol</a></li> <li><a href="/wiki/Scigress" title="Scigress">Scigress</a></li> <li><a href="/wiki/Spartan_(chemistry_software)" title="Spartan (chemistry software)">Spartan</a></li> <li><a href="/wiki/TeraChem" title="TeraChem">TeraChem</a></li> <li><a href="/wiki/TURBOMOLE" title="TURBOMOLE">TURBOMOLE</a></li> <li><a href="/wiki/Vienna_Ab_initio_Simulation_Package" title="Vienna Ab initio Simulation Package">VASP</a></li> <li><a href="/wiki/WIEN2k" title="WIEN2k">WIEN2k</a></li> <li><a href="/wiki/Valence_bond_programs" title="Valence bond programs">XMVB</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%"><a href="/wiki/Skeletal_structure" class="mw-redirect" title="Skeletal structure">Skeletal structure</a> drawing</th><td class="navbox-list-with-group navbox-list navbox-odd hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"></div><table class="nowraplinks navbox-subgroup" style="border-spacing:0"><tbody><tr><th scope="row" class="navbox-group" style="width:1%">Free software</th><td class="navbox-list-with-group navbox-list navbox-even" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/JChemPaint" title="JChemPaint">JChemPaint</a></li> <li><a href="/wiki/Molsketch" title="Molsketch">Molsketch</a></li> <li><a href="/wiki/XDrawChem" title="XDrawChem">XDrawChem</a></li></ul> </div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Proprietary</th><td class="navbox-list-with-group navbox-list navbox-odd" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/ACD/ChemSketch" title="ACD/ChemSketch">ACD/ChemSketch</a></li> <li><a href="/wiki/ISIS/Draw" title="ISIS/Draw">BIOVIA Draw</a></li> <li>ChemDoodle</li> <li><a href="/wiki/ChemDraw" title="ChemDraw">ChemDraw</a></li> <li><a href="/wiki/ChemWindow" title="ChemWindow">ChemWindow</a></li> <li><a href="/wiki/JME_Molecule_Editor" title="JME Molecule Editor">JME Molecule Editor</a></li> <li><a href="/wiki/MarvinSketch" class="mw-redirect" title="MarvinSketch">MarvinSketch</a></li></ul> </div></td></tr></tbody></table><div></div></td></tr><tr><th scope="row" class="navbox-group" style="width:1%">Others</th><td class="navbox-list-with-group navbox-list navbox-even hlist" style="width:100%;padding:0"><div style="padding:0 0.25em"> <ul><li><a href="/wiki/Aqion" title="Aqion">Aqion</a></li> <li><a href="/wiki/Eulim" title="Eulim">Eulim</a></li> <li><a href="/wiki/EXC_code" title="EXC code">EXC code</a></li> <li>GenX</li> <li>GSim</li> <li><a href="/wiki/Mercury_(crystallography)" title="Mercury (crystallography)">Mercury</a></li> <li><a href="/wiki/CrystalExplorer" title="CrystalExplorer">CrystalExplorer</a></li> <li><a href="/wiki/Internal_Coordinate_Mechanics" title="Internal Coordinate Mechanics">ICM</a> (ICM-Browser)</li> <li><a href="/wiki/Materials_Studio" title="Materials Studio">Materials Studio</a></li> <li><a href="/wiki/Molden" title="Molden">Molden</a></li> <li><a href="/wiki/OpenChrom" title="OpenChrom">OpenChrom</a></li> <li>SASHIMI</li></ul> 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