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Procrustes

GPLv3 License GitHub Actions Status Documentation Status Binder

The Procrustes library provides a set of functions for transforming a matrix to make it as similar as possible to a target matrix. For more information, visit Procrustes Documentation.

Citation

Please use the following citation in any publication using Procrustes library:

"Procrustes: ", F. Meng, et al.

Dependencies

The following dependencies are required to run Procrustes properly,

Installation

To install Procrustes using the conda package management system, install miniconda or anaconda first, and then:

    # Create and activate myenv conda environment (optional, but recommended)
    conda create -n myenv python=3.6
    conda activate myenv

    # Install the stable release.
    conda install -c theochem procrustes

To install Procrustes with pip, you may want to create a virtual environment, and then:

    # Install the stable release.
    pip install qc-procrustes

See https://procrustes.readthedocs.io/en/latest/usr_doc_installization.html for full details.

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