Procrustes

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: A Python Library to Find Transformationsthat Maximize the Similarity Between Matrices.", F. Meng, M. Richer, A. Tehrani, J. La, T. D. Kim, P. W. Ayers, F. Heidar-Zadeh, JOURNAL XXX.

Dependencies

The following dependencies are required to run Procrustes properly,

• Python >= 3.6: http://www.python.org/
• NumPy >= 1.18.5: http://www.numpy.org/
• SciPy >= 1.5.0: http://www.scipy.org/
• PyTest >= 5.3.4: https://docs.pytest.org/
• PyTest-Cov >= 2.8.0: https://pypi.org/project/pytest-cov/

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/label/dev qc-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.