Metadata-Version: 1.0
Name: pyxmolpp2
Version: 0.2.0
Summary: Utils for processing MD
Home-page: https://github.com/sizmailov/pyxmolpp2
Author: Sergei Izmailov
Author-email: sergei.a.izmailov@gmail.com
License: UNKNOWN
Description: #################################
        A tool to process MD trajectories
        #################################
        
        .. |master_build| image:: https://travis-ci.org/sizmailov/pyxmolpp2.svg?branch=master
            :alt: master status
            :target: https://travis-ci.org/sizmailov/pyxmolpp2
        
        
        .. |master_coverage| image:: https://codecov.io/gh/sizmailov/pyxmolpp2/branch/master/graph/badge.svg
            :alt: master coverage
            :target: https://codecov.io/gh/sizmailov/pyxmolpp2/branch/master
        
        
        .. |dev_build| image:: https://travis-ci.org/sizmailov/pyxmolpp2.svg?branch=dev
            :alt: dev status
            :target: https://travis-ci.org/sizmailov/pyxmolpp2
        
        
        .. |dev_coverage| image:: https://codecov.io/gh/sizmailov/pyxmolpp2/branch/dev/graph/badge.svg
            :alt: dev coverage
            :target: https://codecov.io/gh/sizmailov/pyxmolpp2/branch/dev
        
        .. image:: https://badge.fury.io/py/pyxmolpp2.svg
            :target: https://badge.fury.io/py/pyxmolpp2
        
        ================= =================
            **master**         **dev**
        ================= =================
        |master_build|    |dev_build|
        |master_coverage| |dev_coverage|
        ================= =================
        
        ----
        Goal
        ----
        
        We want our scripts to
         - run fast
         - be easy to read
         - be easy to write correct
         - be hard to write incorrect
        
        So we need a library which
         - is reliable
         - full of features
        
        
        Well-written C++ code gives us speed. An IDE augmented with static type system should prevent many occasional
        pythonic mistakes before script is run. Moderate functional style programming contributes to readability.
        At least it's how it was meant to be)
        
        -------------
        Documentation
        -------------
        
        https://sizmailov.github.io/pyxmolpp2/
        
        It includes tutorial, usage examples and python API reference.
        
        -------
        Install
        -------
        
        from PyPi package
        ^^^^^^^^^^^^^^^^^
        
        PyPi package contains all C++ dependencies, total size is about ~4 mb.
        Install command:
        
        .. code-block:: bash
        
            python -m pip install pyxmolpp2
        
        
        
        from git repository
        ^^^^^^^^^^^^^^^^^^^
        
        **Caution**: Total size of repository with sub-repositories exceeds 100mb
        
        To install from master branch run command
        
        .. code-block:: bash
        
            python -m pip install git+https://github.com/sizmailov/pyxmolpp2.git
        
        
        -------
        Credits
        -------
        
        Written by Sergei Izmailov in BioNMR lab at SPbSU
        
Platform: UNKNOWN
