mdpertool
A Software Tool for Investigation of Allosteric Communication within Proteins via Energy Dissipation Concept
Installation
To install this package, run one of the following:
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Description
A tool for investigating allosteric communication in proteins via the Energy Dissipation Concept, powered by OpenMM (CUDA supported).
INSTALLATION — the Anaconda page shows a short command that omits required channels. Use the full command below instead (Python 3.10–3.13 required):
conda create -n mdpertool -c conda-forge -c bio-otto bio-otto::mdpertool conda activate mdpertool
To install a beta/pre-release version, add the beta label to the channel:
conda create -n mdpertool -c conda-forge -c bio-otto/label/beta bio-otto::mdpertool
About
Summary
A Software Tool for Investigation of Allosteric Communication within Proteins via Energy Dissipation Concept
Last Updated
Apr 26, 2026 at 22:07
License
MIT
Supported Platforms
linux-64
macOS-arm64
win-64
Unsupported Platforms
noarch Last supported version: 0.0.7
GitHub Repository
https://github.com/Bio-Otto/MDPerTool_GUI