A package to perform refinement of MD simulation trajectories. Documentation can be browsed at this page
To install package and dependencies with pip (version from PyPI):
pip install MDRefine
You can install the development version by cloning the repository and, from its root directory, type:
pip install -e .
In case you prefer to install MDRefine in a separate environment to avoid polluting your Python installation with unnecessary packages, we recommend using a Python virtual environment
python3 -m venv env
source env/bin/activate
pip install MDRefine
To load this environment in a new shell, type source /path/to/env/bin/activate.
1 maintainer
Release files for MDRefine 0.0.11
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| mdrefine-0.0.11.tar.gz | 39.2 kB | Details |
Release files / mdrefine-0.0.11.tar.gz
| Download URL | mdrefine-0.0.11.tar.gz |
|---|---|
| Size | 39.2 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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twine/6.1.0 CPython/3.12.9
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