POSCAR3D is an intuitive, user-friendly tool designed to visualize POSCAR files in a realistic 3D environment. Created through a collaboration between myself and my wife, Zeinab Hajalifard, a Ph.D. student at ISU, this tool aims to assist researchers and students in viewing their POSCAR files with actual van der Waals radii of the atoms. This not only enhances the understanding of molecular structures but also adds an element of fun to the visualization process.
- Realistic 3D Visualization: Renders POSCAR files in 3D, using accurate van der Waals radii for atom representation.
- Interactive Viewing Experience: Offers functionalities like rotation, zoom, and pan to explore the molecular structure in detail.
- User-friendly Interface: A simple and clean GUI, making it accessible for users of all experience levels.
- Clone the repository:
git clone https://github.com/shahabafshar/POSCAR3D - Navigate to the directory:
cd POSCAR3D - Install required libraries:
pip install -r requirements.txt - Run the application:
python main.py
Ensure you have Python installed. After cloning the repository, install the required dependencies using the following command:
pip install -r requirements.txt
Execute the application with the command:
python main.py
Use the GUI to load a POSCAR file and interact with the visualization.
We welcome contributions, bug reports, and feature requests. If you use POSCAR3D in your research or coding projects, we would appreciate it if you could acknowledge this tool and mention us.
This project is licensed under the MIT License. See the LICENSE file for more details.
- Special thanks to Zeinab Hajalifard for her inspiration and contribution to this project.
- Appreciation to all contributors and users in the scientific and coding community.