VIKING (Scandinavian Online Kit For Nanoscale Modeling) is an convenient user-friendly online interface for running various simulations using popular software packages. VIKING is tailored for addressing specific biomedical and biochemical tasks through computer simulations:
- Molecular dynamics (using NAMD)
- Quantum chemistry single point energy calculation (Gaussian09)
- Quantum chemistry geometry optimization (Gaussian09)
- Virtual screening (using AutoDock and QVina)
- Spin chemistry (using MolSpin - also developed at QuantBioLab)
This project targets a wide group of users, from bench scientist to computational scientist, from student to expert. Our development strategy seeks to continuously balance the interests of general users, intermediate experts, and advanced users.
Different user groups use different platforms, e.g., Windows, MacOS, and Linux for the general user and the latest petaflop machines for the most advanced users. Being available as a web service, VIKING works in the browser, thus eliminating the cross-platform compatibility problem. It is available on any computer, desktop or mobile, connected to the Internet.
VIKING features a 3D molecular viewer, allowing to visualize molecular and atomic structures in the browser window. Currently under development is the interactive editor, which allows the user to construct and modify such structures using visual tools directly in the browser window.
One of the key features is the possibility to link VIKING to supercomputers (currently linked to Abacus 2.0) and use their computational power for running the simulations.