Program title: Metadyn View
Catalogue identifier: AEYC_v1_0
Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEYC_v1_0.html
Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland
Licensing provisions: GPL v3.0
No. of lines in distributed program, including test data, etc.: 273269
No. of bytes in distributed program, including test data, etc.: 4632839
Distribution format: tar.gz
Programming language: HTML5, JavaScript, CSS, WebGL.
Computer: Any computer with a modern web browser compatible with HTML5, JavaScript and CSS.
Operating system: Platform-independent.
RAM: Depends on the number of Gaussian hills and dimensionality of the bias potential.
Classification: 3, 7.7, 23.
Nature of problem: Fast and interactive visualization of free energy surfaces of molecular systems calculated by metadynamics method.
Solution method: Implementation of optimized Bias Sum algorithm and a set of tools for free energy surface analysis.
Unusual features: The program, due to its web-based nature, can be run on a wide range of devices and without installation.
Running time: Couple of seconds for a medium sized HILLS file (tens of thousands of lines).