Welcome to the MD trajectory server

MDsrv is a web-based tool developed to enhance collaborative research by providing non-experts with easy and quick on-line access to molecular dynamics (MD) simulations. As a member of the nglviewer family, MDsrv channels MD trajectories through a web server using a powerful web application (NGL viewer) to visualize them.

From research collaborators, to peer reviewers or students, they can now visualize third-party MD simulations through a web browser - without any software installation.

Highlights:

• Direct meaningful display of raw simulation data by automatically handling periodic boundary conditions, centering and superposition.
• Further on-the-fly MD trajectory processing (e.g. by filtering out frames and/or atoms) allows generating customized sessions that can be easily shared.
• Specific self-written functions such as 'show/hide ligand' can be added to customized sessions.
• MDsrv can display large molecular structures, densities and animate MD trajectories to allow interactive exploration and collaborative visual analysis within a local network or over the Internet.

Features: Go here to find out what file formats are supported and what is new since the last release!

A small example of the usage of the MDsrv in combination with the NGL viewer is embedded on this page (above). It can be interactively moved, scaled and rotated. More examples can be found here.

Availability

The source code is available under the MIT License from github.com/arose/mdsrv, via the ngl conda channel (conda-forge channel inclusion in preparation) and the Python Package index pypi.python.org/pypi/MDsrv. The visualization capabilities of MDsrv require no previous installation other than a modern web browser. The streaming capabilities (i.e. from a local or a dedicated web-server) do require installation and have been fully tested for Linux and Mac OS operating systems.

Participating

If you have any questions, found some bugs, or want to report enhancement requests use the Issue Tracker, the contact formular or mail us directly (johanna.tiemann@gmail.com or alexander.rose@weirdbyte.de).

MDsrv is open source and welcomes your contributions. Fork the repository on GitHub and submit a pull request.