VIAMD: a Software for Visual Interactive Analysis of Molecular Dynamics.

ABSTRACT: The typical workflow in molecular dynamics (MD) analysis requires several separate tools, often resulting in a lack of synergy and interaction between the individual analysis steps. This article presents VIAMD, an application designed to address this issue by integrating a 3D visualization of molecular trajectories with flexible analysis components. VIAMD uses an interactive scripting interface, allowing for property definition and evaluation. The application provides context-aware suggestions and expression feedback through information and visualizations. The user-defined properties can be explored and analyzed through the various components. This enables correlation with spatial conformations, statistical analysis of distributions, and powerful aggregation of multidimensional properties

SUBMITTER: Skanberg R 

PROVIDER: S-EPMC10716899 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature