MD signal transduction calculation
Project description
mdpath
MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral angle movements throughout an MD simulation.
Instalation
MDPath can be easily installed using pip
pip install mdpath
All dependencies are automatically installed along with the package.
Usage
MDPath can be accesed from the comandline. Acces this command to get an overview of all availible flags:
mdpath -h
For a detailed description of the available options and outputs, see: https://mdpath.readthedocs.io
Copyright
Copyright (c) 2024, Niklas Piet Doering and Marvin Taterra
Acknowledgements
Project based on the Computational Molecular Science Python Cookiecutter version 1.1.
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 mdpath-1.0.1.tar.gz.
File metadata
- Download URL: mdpath-1.0.1.tar.gz
- Upload date:
- Size: 41.0 kB
- Tags: Source
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.0.1 CPython/3.12.8
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
ca81327bb1307a7b8ba40274311d323a12df6baeb5fbe9760f2d4d93430a2ffb
|
|
| MD5 |
8a6d9a704137f7334a9af41de85c7620
|
|
| BLAKE2b-256 |
3669abb3cb7acd3fe9cdc65ce22d269e9b93723014e4085f82a57ba150aeb80c
|
Provenance
The following attestation bundles were made for mdpath-1.0.1.tar.gz:
Publisher:
publish.yml on wolberlab/mdpath
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
mdpath-1.0.1.tar.gz -
Subject digest:
ca81327bb1307a7b8ba40274311d323a12df6baeb5fbe9760f2d4d93430a2ffb - Sigstore transparency entry: 154421554
- Sigstore integration time:
-
Permalink:
wolberlab/mdpath@19d60d99fce5ef1b36de070e2820d04a48baff44 -
Branch / Tag:
refs/tags/1.0.1 - Owner: https://github.com/wolberlab
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
publish.yml@19d60d99fce5ef1b36de070e2820d04a48baff44 -
Trigger Event:
release
-
Statement type:
File details
Details for the file mdpath-1.0.1-py3-none-any.whl.
File metadata
- Download URL: mdpath-1.0.1-py3-none-any.whl
- Upload date:
- Size: 46.8 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.0.1 CPython/3.12.8
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
13517b71070bdbf3806ec56a4fc665c8e1e3c22c02a2bb0c9a3e973366293f05
|
|
| MD5 |
a02673a56d3584b663e4a0c970e8948b
|
|
| BLAKE2b-256 |
a73a6581f6451d49aea2a3f1c771e697eb42c5aa7c09045c02ed510f9f1fe02b
|
Provenance
The following attestation bundles were made for mdpath-1.0.1-py3-none-any.whl:
Publisher:
publish.yml on wolberlab/mdpath
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
mdpath-1.0.1-py3-none-any.whl -
Subject digest:
13517b71070bdbf3806ec56a4fc665c8e1e3c22c02a2bb0c9a3e973366293f05 - Sigstore transparency entry: 154421555
- Sigstore integration time:
-
Permalink:
wolberlab/mdpath@19d60d99fce5ef1b36de070e2820d04a48baff44 -
Branch / Tag:
refs/tags/1.0.1 - Owner: https://github.com/wolberlab
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
publish.yml@19d60d99fce5ef1b36de070e2820d04a48baff44 -
Trigger Event:
release
-
Statement type:
