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https://github.com/moleview/moleview
MoleView: A Fast and lightweight plug-in for 3D molecular visualization
https://github.com/moleview/moleview
chemistry computational-chemistry hacktoberfest molecule-viewer
Last synced: 3 months ago
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MoleView: A Fast and lightweight plug-in for 3D molecular visualization
- Host: GitHub
- URL: https://github.com/moleview/moleview
- Owner: moleview
- License: mit
- Created: 2020-09-24T22:06:08.000Z (about 4 years ago)
- Default Branch: master
- Last Pushed: 2021-11-12T15:32:06.000Z (about 3 years ago)
- Last Synced: 2024-06-29T13:33:30.702Z (5 months ago)
- Topics: chemistry, computational-chemistry, hacktoberfest, molecule-viewer
- Language: Python
- Homepage:
- Size: 481 KB
- Stars: 27
- Watchers: 4
- Forks: 7
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Awesome Lists containing this project
README
# MoleView: A Fast and lightweight plug-in for 3D molecular visualization
Molecule + Viewer = MoleView
View your molecule anywhere and anytime!
## Installation
```sh
pip install moleview
```
**Requirements**
- Python 3
- NumPy
- SciPy
- Matplotlib
## Usage
```sh
moleview benzene.xyz
```
## Gallery
Screenshots of program:
| ![][ss_1] | ![][ss_2] | ![][ss_3] |
|:-------------:|:------------------:|:-------------:|
| Aspirin | Alanine tripeptide | C180 |
[ss_1]: https://raw.githubusercontent.com/moleview/moleview/master/img/aspirin.png
[ss_2]: https://raw.githubusercontent.com/moleview/moleview/master/img/alanine-tripeptide.png
[ss_3]: https://raw.githubusercontent.com/moleview/moleview/master/img/c180.png
## Development
What you can help improve MoleView :)
- Visualization of a large molecule in matplotlib is still slow. It would be great if we can make it faster.
- Is it possible to make MoleView displays animation of a trajectory file that contains a number of structures?
- Is it possible to speed up the performance using GPU?
- It would be very great if MoleView can provide analysis functions such as molecular orbitals, density, ...
All pull requests, issues, comments and suggestions are welcome.
## Support and Citation
```
@software{Moleview2020,
author = "Rangsiman Ketkaew",
title = "MoleView: A fast and lightweight plug-in for 3D molecular visualization",
month = "oct",
year = "2020",
url = "https://github.com/moleview/moleview"
}
```
## Author
Rangsiman Ketkaew : [email protected]