A package that help analyze PQ energy and parameter output.
Project description
PQEnalyzer
Energy and Parameter Analyzer for Molecular Dynamic Trajectories - PQ
Installation
Install with pip:
pip install PQEnalyzer
Usage
Open the GUI by calling the PQEnalyzer via the CLI and supplying a .en file from the PQ trajectory:
pqenalyzer pq_output.en
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
pqenalyzer-0.7.0.tar.gz
(2.5 MB
view details)
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file pqenalyzer-0.7.0.tar.gz.
File metadata
- Download URL: pqenalyzer-0.7.0.tar.gz
- Upload date:
- Size: 2.5 MB
- Tags: Source
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/5.1.0 CPython/3.12.5
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
fa9410dfc16c3f505a564cf953586a2f68f785ee065604151a5d66151c026711
|
|
| MD5 |
61599bf0bbe98b0796ba004d90c171ec
|
|
| BLAKE2b-256 |
390f483f0568a559f93a8d9244a44e1a97a6ea6d365648aa4f428c862bfacff3
|
File details
Details for the file PQEnalyzer-0.7.0-py3-none-any.whl.
File metadata
- Download URL: PQEnalyzer-0.7.0-py3-none-any.whl
- Upload date:
- Size: 33.0 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/5.1.0 CPython/3.12.5
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
3d562b80c8958f626b402f00843beae628a531fff25524573f5abc85b4430b5e
|
|
| MD5 |
6ce73ff6bbcc1674d53d9a738315c143
|
|
| BLAKE2b-256 |
7864de13d75645b9121dcd014322b1ad8137e0aab770eba29b4e0abc3c794dda
|
