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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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


Molecular representations
VMD plugin library
Molecular file formats
GPU-accelerated computing
Interactive molecular dynamics
Programs that use VMD
VMD research publications
How to cite VMD
VMD citation list, (15,660 as of Jul'15)


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

Documentation and Support

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

News and Announcements

Vote for VMD in the 2015 HPCWire Reader's Choice Awards!
VMD 1.9.2 image making tutorial video (YouTube)
Updated Gromacs plugins for VMD 1.9.2
VMD 1.9.2 Released
HPC's Future Lies in Remote Visualization
Multilevel Summation Method for Electrostatic Force Evaluation, JCTC
Visualization of Energy Conversion Processes in a Light Harvesting Organelle at Atomic Detail
Petascale Tcl with NAMD, VMD, and Swift/T, HPTCDL'14
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.
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.
Past announcements


Winning SC'14 chromatophore light harvesting visualization
VMD movie gallery on YouTube
Gallery of Posters, Images, and Movies made with VMD
VMD running in the NanoDome at Temple University


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