VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. VMD supports computers running MacOS X, Unix, or Windows, is distributed free of charge, and includes source code.
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Spotlight

Because oxygen gas is very reactive, it is frequently employed by the cell as a reagent by proteins called enzymes, which build the organic compounds that the cell needs. One such enzyme belongs to the copper amine oxidase family. These proteins transform amine-containing compounds into molecules needed by the cell, by reacting the compounds with oxygen. Researchers have long been interested in finding out how the various reagents reach the buried copper active site before the final oxidation reaction can occur. While copper amine oxidases exhibit an obvious channel for capturing the amine compounds to be modified, it had been unclear until now how oxygen molecules make their way through the enzyme. With the help of computer simulations using NAMD, researchers have identified in a recent publication, the routes taken by oxygen inside various copper amine oxidases from different species. In order to accomplish this, they analyzed simulations of the motions of four copper amine oxidases, using the VMD analysis and visualization software, which can predict the probability of finding oxygen molecules anywhere inside the simulated proteins. This analysis found numerous oxygen conduction routes inside each copper amine oxidase, i.e., oxygen can enter the protein through many routes, as it would in a sponge. More information on finding O2 migration pathways in proteins can be found here.
Other Spotlights
Copper amine oxidase

Overview

Molecular representations
Molecular file formats
GPU-accelerated computing
Interactive molecular dynamics
Programs that use VMD
VMD research publications
How to cite VMD
VMD citation list, (12,743 as of May'14)

Download

Download (all versions)
VMD 1.9.2 (MacOS X, Unix, Windows)
VMD 1.9.1 (MacOS X, Unix, Windows)
VMD plugin library
VMD script library
License, Copyright and Disclaimer

Documentation and Support

User and installation guides
Quick help
FAQ
VMD-L mailing list
Bug List

News and Announcements

Petascale Tcl with NAMD, VMD, and Swift/T
VMD 1.9.2 beta 1 posted for download
Optimizing VMD on GPU-accelerated ARM platforms
GPU-Accelerated Analysis and Visualization of Large Structures Solved by Molecular Dynamics Flexible Fitting, FD169, 2014.
Methodologies for the Analysis of Instantaneous Lipid Diffusion in MD Simulations of Large Membrane Systems, FD169, 2014.
Webinar: GPU-Supercharged Molecular Visualization / Analysis with VMD
2014 VMD Calendar
GPU-accelerated molecular visualization on petascale supercomputing platforms, UltraVis'13
Early Experiences Scaling VMD Molecular Visualization and Analysis Jobs on Blue Waters, Proc. XSCALE, 2013.
Rapid parameterization of small molecules using ffTK, JCC, 2013.
Most cited since 2008: "GPU-Accelerated Molecular Modeling Coming of Age"
VMD QuickSurf rendering of HIV-1 capsid on cover of Nature 497 (7451), 2013.
Lattice microbes: High-performance stochastic simulation method for the reaction-diffusion master equation, J. Comp. Chem, 2013.
Force Field Toolkit (FFTK) tutorial screencasts
Fast Visualization of Gaussian Density Surfaces for Molecular Dynamics and Particle System Trajectories, EuroVis 2012.
Immersive out-of-core visualization of large-size and long-timescale molecular dynamics trajectories, LNCS, 2011.
Past announcements

Gallery

Gallery of Posters, Images, and Movies made with VMD
VMD running in the NanoDome at Temple University

Development

VMD User Survey Results
VMD development status and pre-release test downloads
CVS source code access
VMD Programmer's documentation