This is the Linux app named NaRIBaS whose latest release can be downloaded as NaRIBaS-v1.0.zip. It can be run online in the free hosting provider OnWorks for workstations.
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NaRIBaS
DESCRIPTION
Unix-based preparation and analysis toolbox for Nanomaterials and Room Temperature Ionic Liquids in Bulk and Slab using bash scripts, Gromacs tools and Matlab functions.
NaRIBaS provides a framework that decouples user input parameter and terminal based command lines. NaRIBaS does not replace a simulation software and specific analysis tools like Gromacs, but it allows iterative repetition of tasks while changing specific input parameter.
The toolbox is to be understood as a scripting framework rather than a black-box software.
Task specific input and preparation or analysis function, are easy expandable to meet the scientific characteristic of constant changing properties.
Concepts for efficiently storing and analysing large files in conjunction with graphical visualization and numerical data processing are presented in a Manual.
A documented script collection that allows reproducing all simulations and analysis results presented in the Doctoral thesis of the author.
Features
- Manual with description of concepts for efficiently handling and analysing large amounts of data
- Manual with an introduction to the automatisation of data creation and analysis
- Demo files including their documentation in the Manual
- A documented script collection for reproducing molecular dynamics simulations of ionic liquids, advanced analysis of simulations with slab geometry
- A flexible and robust plotting routine for preparing high quality figures written in Matlab
Audience
Science/Research, Education, Advanced End Users
User interface
Console/Terminal, Command-line
Programming Language
Unix Shell, MATLAB, Tcl
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/naribas/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
