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OpenMiChroM-1.0.5


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توضیحات

Open-Michrom lib for chromosome simulations
ویژگی مقدار
سیستم عامل OS Independent
نام فایل OpenMiChroM-1.0.5
نام OpenMiChroM
نسخه کتابخانه 1.0.5
نگهدارنده []
ایمیل نگهدارنده []
نویسنده Antonio Bento de Oliveira Junior,Vinicius de Godoi Contessoto
ایمیل نویسنده antonio.oliveira@rice.edu,contessoto@rice.edu
آدرس صفحه اصلی https://ndb.rice.edu/Open-MiChroM
آدرس اینترنتی https://pypi.org/project/OpenMiChroM/
مجوز -
============ OpenMiChroM ============ |Citing OpenMiChroM| |PyPI| |conda-forge| |ReadTheDocs| |NDB| |Update| |GitHub-Stars| .. |Citing OpenMiChroM| image:: https://img.shields.io/badge/cite-OpenMiChroM-informational :target: https://open-michrom.readthedocs.io/en/latest/Reference/citing.html .. |PyPI| image:: https://img.shields.io/pypi/v/OpenMiChroM.svg :target: https://pypi.org/project/OpenMiChroM/ .. |conda-forge| image:: https://img.shields.io/conda/vn/conda-forge/OpenMiChroM.svg :target: https://anaconda.org/conda-forge/OpenMiChroM .. |ReadTheDocs| image:: https://readthedocs.org/projects/open-michrom/badge/?version=latest :target: https://open-michrom.readthedocs.io/en/latest/ .. |NDB| image:: https://img.shields.io/badge/NDB-Nucleome%20Data%20Bank-informational :target: https://ndb.rice.edu/ .. |Update| image:: https://anaconda.org/conda-forge/openmichrom/badges/latest_release_date.svg :target: https://anaconda.org/conda-forge/openmichrom .. |GitHub-Stars| image:: https://img.shields.io/github/stars/junioreif/OpenMiChroM.svg?style=social :target: https://github.com/junioreif/OpenMiChroM `Documentation <https://open-michrom.readthedocs.io/>`__ | `Install <https://open-michrom.readthedocs.io/en/latest/GettingStarted/installation.html>`__ | `Tutorials <https://open-michrom.readthedocs.io/en/latest/Tutorials/Tutorial_Single_Chromosome.html>`__ | `Forum <https://groups.google.com/g/open-michrom>`__ Overview ======== `OpenMiChroM <https://www.sciencedirect.com/science/article/pii/S0022283620306185>`_ is a Python library for performing chromatin dynamics simulations and analyses. Open-MiChroM uses the `OpenMM <http://openmm.org/>`_ Python API employing the `MiChroM (Minimal Chromatin Model) <https://www.pnas.org/content/113/43/12168>`_ energy function. The chromatin dynamics simulations generate an ensemble of 3D chromosomal structures that are consistent with experimental Hi-C maps. OpenMiChroM also allows simulations of a single or multiple chromosome chain using High-Performance Computing in different platforms (GPUs and CPUs). The chromatin dynamics simulations can be performed for different human cell lines, cell phases (interphase to metaphase), and different organisms from `DNAzoo <https://www.dnazoo.org/>`_. Chromatin subcompartment annotations are available at the `NDB (Nucleome Data Bank) <https://ndb.rice.edu/>`_. Open-MiChroM package receives the chromatin sequence of compartments and subcompartments as input to create and simulate a chromosome polymer model. Examples of running the simulations and generating the *in silico* Hi-C maps can be found `here <../Tutorials/single_chain.html>`_ Resources ========= - `Reference Documentation <https://open-michrom.readthedocs.io/>`__: Examples, tutorials, and class details. - `Installation Guide <https://open-michrom.readthedocs.io/en/latest/GettingStarted/installation.html>`__: Instructions for installing **OpenMiChroM**. - `Open-MiChroM Google Group <https://groups.google.com/g/open-michrom>`__: Ask questions to the **OpenMiChroM** user community. - `GitHub repository <https://github.com/junioreif/OpenMiChroM/>`__: Download the **OpenMiChroM** source code. - `Issue tracker <https://github.com/junioreif/OpenMiChroM/issues>`__: Report issues/bugs or request features. Citation ======== When using **OpenMiChroM** to perform chromatin dynamics simulations or analyses, please `use this citation <https://open-michrom.readthedocs.io/en/latest/Reference/citing.html>`__. Installation ============ The **OpenMiChroM** library can be installed via `conda <https://conda.io/projects/conda/>`_ or pip, or compiled from source. Install via conda ----------------- The code below will install **OpenMiChroM** from `conda-forge <https://anaconda.org/conda-forge/OpenMiChroM>`_. .. code-block:: bash conda install -c conda-forge OpenMiChroM .. hint:: Often, the installation via conda happens to be stuck. If this is the case, it is recommended to update conda/anaconda using the command line below and try to install **OpenMiChroM** again. .. code-block:: bash conda update --prefix /path/to/anaconda3/ anaconda Install via pip ----------------- The code below will install **OpenMiChroM** from `PyPI <https://pypi.org/project/OpenMiChroM/>`_. .. code-block:: bash pip install OpenMiChroM The **OpenMiChroM** library uses `OpenMM <http://openmm.org/>`_ API to run the chromatin dynamics simulations. These requirements can be met by installing the OpenMM package from the `conda-forge channel <https://conda-forge.org/>`__: .. code-block:: bash conda install -c conda-forge openmm The following are libraries **required** for installing **OpenMiChroM**: - `Python <https://www.python.org/>`__ (>=3.6) - `NumPy <https://www.numpy.org/>`__ (>=1.14) - `SciPy <https://www.scipy.org/>`__ (>=1.5.0) - `six <https://pypi.org/project/six/>`__ (>=1.14.0) - `h5py <https://www.h5py.org/>`__ (>=2.0.0) - `pandas <https://pandas.pydata.org/>`__ (>=1.0.0) - `scikit-learn <https://scikit-learn.org/>`__ (>=0.20.0)


نحوه نصب


نصب پکیج whl OpenMiChroM-1.0.5:

    pip install OpenMiChroM-1.0.5.whl


نصب پکیج tar.gz OpenMiChroM-1.0.5:

    pip install OpenMiChroM-1.0.5.tar.gz