AViS
"AViS" is a software application that enhances the study of molecular dynamics simulations through advanced analysis and visualization capabilities. Recognizing the limitations of existing toolsets that are often tailored for specific use cases and challenging to extend, AViS introduces a more flexible and user-friendly approach to extending analysis capabilities.
Key Features and Functionalities:
- Dataflow Programming Paradigm: AViS leverages the dataflow programming (DFP) paradigm to define algorithms as execution graphs, where arbitrary data can be transferred between nodes using visual connectors. This approach facilitates a higher level of flexibility in algorithm design and implementation.
- Multi-Language Support for Extension Nodes: The software allows extension nodes to be implemented in Python, C++, and Fortran. These nodes can be combined within the same algorithm, providing a versatile environment for extending the toolset's functionality.
- Sophisticated Visualization: AViS incorporates a comprehensive collection of nodes for visualization state modifications, simplifying creating extensions for complex visualization tasks. The physically-based rendering techniques used in AViS improve the 3D perception of molecular structures, enhancing interactive visualization experiences.
- Efficient Data Handling: The software is designed to automatically read input files from servers and fetch data as needed, optimizing memory usage and streamlining the data analysis workflow.
- Cross-Platform Availability: AViS is freely available with source code and binaries for Windows, MacOS, and Linux, ensuring wide accessibility and compatibility across different computing environments.
Topic
Molecular dynamics;Data visualisation;Workflows;Imaging
Detail
Operation: Molecular dynamics;Visualisation;Simulation analysis
Software interface: Desktop application
Language: C++,C
License: GNU General Public License v3.0
Cost: Free with restrictions
Version name: 0.12c
Credit: -
Input: -
Output: -
Contact: Kenji Yasuoka yasuoka@mech.keio.ac.jp
Collection: -
Maturity: -
Publications
- Dataflow programming for the analysis of molecular dynamics with AViS, an analysis and visualization software application.
- Pua K, et al. Dataflow programming for the analysis of molecular dynamics with AViS, an analysis and visualization software application. Dataflow programming for the analysis of molecular dynamics with AViS, an analysis and visualization software application. 2020; 15:e0231714. doi: 10.1371/journal.pone.0231714
- https://doi.org/10.1371/JOURNAL.PONE.0231714
- PMID: 32315327
- PMC: PMC7173788
Download and documentation
Documentation: https://avis-md.github.io/docs/index.html
Home page: https://github.com/avis-md/avis
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