VMD - Visual Molecular Dynamics

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
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 (37,000 as of Mar'21)

Download

Download (all versions)
VMD 1.9.4 (MacOS X, Unix, Windows)
VMD 1.9.3 (MacOS X, Unix, Windows)
VMD script library
License, Copyright and Disclaimer

Documentation and Support

User and installation guides
VMD-L mailing list
Publication image tutorial (YouTube)
Quick help
FAQ
Bug List

News and Announcements

Dynamics of chromosome organization in a minimal bacterial cell, FCDB, 2023
VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical Simulations, JCIM, 2023
Human Learning for Molecular Simulations: The Collective Variables Dashboard in VMD, JCTC, 2022
ANARI: A 3D Rendering API Standard, CiSE, 2022
#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol, IJHPCA, 2022
Intelligent Resolution: Integrating Cryo-EM with AI-Driven Multi-Resolution Simulations to Observe the SARS-CoV-2 Replication-Transcription Machinery in Action, IJHPCA, 2022
The Coronavirus in a Tiny Drop, VMD visualizations of aerosolized SARS-CoV-2, NYT, 2021
NIH Director's blog highlights neuroscience adaptation of VMD
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics, IJHPCA, 2021
Multiscale modeling and cinematic visualization of photosynthetic energy conversion processes from electronic to cell scales, J. Par. Comp. 2021
NAMD and VMD part of the team winning the ACM COVID-19 Gordon Bell Prize for 2020
The Coronavirus Unveiled, VMD visualizations of SARS-CoV-2, NYT, 2020
Scalable molecular dynamics on CPU and GPU architectures with NAMD, JCP, 2020
VMD test builds for MacOS X 10.15 "Catalina" (April 24, 2020)
Past announcements

Gallery

An Accessible Visual Narrative for the Primary Energy Source of Life from the Fulldome Show Birth of Planet Earth, 1st Place Winner, SC'19 Viz. Showcase
Chromatophore VR demo (VMD + Unreal Game Engine) shown in NVIDIA booth at SC'16
Example VMD VR/3-D YouTube videos
Chemical Visualization of Human Pathogens: the Retroviral Capsids, Finalist, SC'15 Viz. Showcase
Visualization of Energy Conversion Processes in a Light Harvesting Organelle at Atomic Detail, 1st Place Winner, SC'14 Viz. Showcase
VMD movie gallery on YouTube
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