XVG Plotter

Introduction

XVG Plotter is a plotting tool for xvg files based on streamlit library.

Installation

Anaconda

1. Run create environment command.

conda env create -f environment.yml # for windows

conda env create -f environment-linux.yml # for linux

conda activate xvg-plotter

2. Start streamlit app

streamlit run main.py

The app will be start on port 8501 and you can access by http://localhost:8501.

If you want to run on another port run:

streamlit run main.py --server.port=7500

Docker

1. Pull latest firesimulations/xvg-plotter image

docker pull firesimulations/xvg-plotter:latest

2. Run docker container

docker run -p 7500:7500 -d --name xvg-plotter firesimulations/xvg-plotter:latest

The app will be start on port 7500 and you can access by http://localhost:7500.

If you want to run on another port run:

docker run -p 8500:7500 -d --name xvg-plotter firesimulations/xvg-plotter:latest 

If you must provide docker volume for running Folder Analysis. For example, if your projects are in C:/projects/md/prod folder pass volume as -v C:/projects/md/prod:/projects.

:/projects should not be changed. Otherwise, it will show error.

docker run -p 7500:7500 -d -v C:/projects/md/prod:/projects --name xvg-plotter firesimulations/xvg-plotter:latest

Usage

You can plot XVG file singly or select folder for ease selection.

Single File Analysis

Options

1. File Name: File name for saving. File name will be auto generated up on selected file.
2. Select X Axis: Select X axis from radio button group.
3. Select Y Axis: Select Y axis from multi selection. You can plot multiple lines.
4. Labels:
   • X Label: X axis label. You can give equation by adding $. for example: Density ($m^3$)
   • Y Label: X axis label.
   • Label Size: Label font size of X and Y axes. You can select 12 to 24.
5. Title
   • Show Title: Checkbox for showing title.
   • Title: Auto generated title from XVG file. Then you can update.
   • Title Size: Title font size. You can select 12 to 30.
   • Title Location: Location of title.
6. Legends:
   • Show Legend: Checkbox for showing legend.
   • Legend Size: Legend font size. You can select 8 to 24.
   • Legend Location: Location of legend.
7. Plot XVG: Button for plotting.
8. Download Plot: Button for downloading image.

Folder Analysis

Options for Running Anaconda:

1. Put Project Folder: After copy and pasting project folder path, click Submit button. It will show success or error message after validating the path.
2. Select XVG File: All xvg file in the project folder will be populated here.
3. Other options are same as Single File Analysis.

Options for Running Docker:

1. Select Folder: Your passed volume in time of running container will be the root volume. Folders of the root folder will be populated automatically. Hidden folders will be excluded.
2. Action Buttons:
   • Select Button: After selecting a folder click Select Button if the XVG files are in the folder.
   • Next Button: If XVG files are in child folder, then click Next Button to show children folders.
   • Clear Button: You can clear selection by clicking Clear Button.
3. Select XVG File: All xvg file in the project folder will be populated here.
4. Other options are same as Single File Analysis.

Citation

@misc{noor_2024_10901374,
  author       = {Noor, Dilwar Hossain},
  title        = {XVG Plotter},
  month        = mar,
  year         = 2024,
  publisher    = {Zenodo},
  version      = {0.13.1},
  doi          = {10.5281/zenodo.10901374},
  url          = {https://doi.org/10.5281/zenodo.10901374}
}