A python module that allow molecular dynamics data analysis based on pandas DataFrames.
Project description
MD-manager: Protein Conformation Analysis Toolkit
MD-manager is a set of python functions and methods that provide easy acess and manipulation of data for molecular dynamics simulations. Python package designed for analyzing protein structure and conformational properties. This toolkit allows users to calculate various structural features such as bond angles, dihedral angles, backbone and side-chain conformations, and more. It is developped in the research group of Physics Applied to Proteins at université de bougrogne.
Installation:
As MD-manager is still in early stage of development, it is not yet available on the pypi code base.
git clone https://github.com/NicolasPetiot/md_manager
cd md_manager
pip install .
Contact : Nicolas.Petiot01@u-bourgogne.fr
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
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 md_manager-2.3.1.tar.gz.
File metadata
- Download URL: md_manager-2.3.1.tar.gz
- Upload date:
- Size: 29.4 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.1.0 CPython/3.12.9
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
3bf9cdbb44fc03ab30686c4eb0e56920be83b71c3a155226a03c2a87c2453980
|
|
| MD5 |
5efc9b5a6b56c3cb336fea39068678b6
|
|
| BLAKE2b-256 |
b9d54976822d898a78f14c1fd47b9583cc0bf788d6f032194f5797c47a66b875
|
File details
Details for the file md_manager-2.3.1-py3-none-any.whl.
File metadata
- Download URL: md_manager-2.3.1-py3-none-any.whl
- Upload date:
- Size: 47.9 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.1.0 CPython/3.12.9
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
5ac58320deacaef4a8c295aba310f5fc6079c8cb81d2668d2c327a73d599c049
|
|
| MD5 |
42d57a67c09209a43dcff09ff73eb4fa
|
|
| BLAKE2b-256 |
f735481a6ae6deaaa1bc0ccb83b300e221dbc398ff06711e1e264a86038e90a0
|
