Nanover iMD

Interactive Molecular Dynamics (iMD) in VR, an application built with the NanoVer framework.

This repository is maintained by the Intangible Realities Laboratory at the University of Santiago de Compostela, and distributed under the MIT license. See the list of contributors for the individual authors of the project.

Run the latest release build

• Download the latest builds.

• Extract the downloaded zip file.

• In the extracted directory,

Android (Meta Quest etc)

• Sideload the NanoVerIMD.apk onto your device (you can use SideQuest for this).
• Look in the Unknown Sources section of your apps list and run NanoVer IMD.

Windows (OpenXR / Meta Quest Link etc)

• In the extracted directory, launch StandaloneWindows64.exe. Windows will likely prompt you with a warning about the executable not being signed. If it happens, click on the "More info" button, then "Run anyway". You will also likely be prompted by the Windows firewall, allow NanoVer to access the network.

Installation with conda

• Install Anaconda
• Open the "Anaconda Powershell Prompt" to enter the commands in the following instructions
• Create a conda environment (here we call the environment "nanover"): conda create -n nanover "python>3.11"
• Activate the conda environment: conda activate nanover
• Install the NanoVer IMD package: conda install -c irl nanover-imd
• Run the command NanoverImd

Installation for Development

• Clone this repository to a folder on your computer.
• Update the submodules with git submodule sync and git submodule update --init --recursive --remote.
• Download Unity Hub by visiting the Unity Download Page and clicking the green Download Unity Hub button.
• Install Unity Hub onto your computer.
• Go to the Unity Download Archive and click the green Unity Hub download button next to the label 2019.3.0 (the version required for this project)
• Once installed, navigate to the Projects tab and click Add in the top right of Unity Hub.
• Select the folder which you downloaded the repository to.

Once open in Unity, the main Unity scene can be found in NanoverIMD/Assets/NanoverXR Scene.

Citation, Credits and External Libraries

If you find this project useful, please cite the following paper:

M. O’Connor, S.J. Bennie, H.M. Deeks, A. Jamieson-Binnie, A.J. Jones, R.J. Shannon, R. Walters, T. Mitchell, A.J. Mulholland, D.R. Glowacki, “Interactive molecular dynamics from quantum chemistry to drug binding: an open-source multi-person virtual reality framework”, J. Chem Phys 150, 224703 (2019)

This project has been made possible by the following projects. We gratefully thank them for their efforts, and suggest that you use and cite them:

• unity - Development platform.
• TextMeshPro - Text rendering for Unity.
• gRPC (Apache v2) - Communication protocol.
• SteamVR SDK (BSD) - SDK for developing VR applications in SteamVR.
• The CIF file importer uses the Chemical Component Dictionary provided at http://www.wwpdb.org/data/ccd.
• icons8 - Provider of icons used in UI.
• NSubstitute (BSD) - Mock testing framework.