openeuler/pyrosetta repository overview

⁠Quick reference

• The official PyRosetta docker image.

• Maintained by: openEuler CloudNative SIG⁠.

• Where to get help: openEuler CloudNative SIG⁠, openEuler⁠.

⁠PyRosetta | openEuler

Current PyRosetta docker images are built on the openEuler⁠. This repository is free to use and exempted from per-user rate limits.

PyRosetta is a Python-based interactive platform for the computational design and modeling of proteins, built on the Rosetta biomolecular modeling suite. It provides access to molecular modeling algorithms for structure prediction, design, and analysis.

Learn more on PyRosetta official site⁠.

⁠Supported tags and respective Dockerfile links

The tag of each pyrosetta docker image is consist of the version of pyrosetta and the version of basic image. The details are as follows

⁠Usage

In this usage, users can select the corresponding {Tag} and container startup options based on their requirements.

• Pull the openeuler/pyrosetta image from docker

  docker pull openeuler/pyrosetta:{Tag}
  

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• Run a container and start an interactive Python session

  docker run -it --rm openeuler/pyrosetta:{Tag}
  

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• Import PyRosetta inside the container

  docker run -it --rm openeuler/pyrosetta:{Tag} python3 -c "import pyrosetta; print(pyrosetta.version())"
  

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  The openeuler/pyrosetta image is used to verify the integration between the upstream PyRosetta version and openEuler.

⁠Question and answering

If you have any questions or want to use some special features, please submit an issue or a pull request on openeuler-docker-images⁠.