Metadata-Version: 1.1
Name: sblu
Version: 0.7.2
Summary: Library for munging data files from ClusPro/FTMap/etc.
Home-page: https://bitbucket.org/bu-structure/sb-lab-utils
Author: Bing Xia
Author-email: sixpi@bu.edu
License: MIT
Description: sb-lab-utils
        ============
        
        Python library and associated scripts for munging data files from
        ClusPro/FTMap/etc.
        
        Installation
        ------------
        
        From PyPI
        ~~~~~~~~~
        
        Ensure you have ``pip``, then run:
        
        .. code-block:: bash
        
            [sudo] pip install sblu
        
        From source
        ~~~~~~~~~~~
        
        First, install psfgen (see below) if you're planning to use ``pdbprep`` functionality.
        
        Clone the repository to your local machine:
        
        .. code-block:: bash
        
            git clone git@bitbucket.org:bu-structure/sb-lab-utils.git
        
        After cloning, you should be able to install using:
        
        .. code-block:: bash
        
            cd sb-lab-utils
            [sudo] pip install -r requirements/development.txt
            pytest
            [sudo] python setup.py install
        
        ``sudo`` is only needed if you are installing it globally.
        We recommend use of Anaconda (https://www.continuum.io).
        
        Requirements
        ------------
        
        psfgen
        ~~~~~~
        
        Building PSF files requires psfgen utility from NAMD package.
        
        Download recent precompiled version of NAMD (2.12 Linux-x86_64-multicore) from 
        http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1501 (registration is required).
        
        Extract the archive and copy the psfgen binary to ``/usr/local/bin/`` (or, if you wish, any other location listed in your **PATH** environment variable):
        
        .. code-block:: bash
        
            tar zxf NAMD_2.12_Linux-x86_64-multicore.tar.gz && sudo cp NAMD_2.12_Linux-x86_64-multicore/psfgen "/usr/local/bin/"
        
        Python modules
        ~~~~~~~~~~~~~~
        
        If you're using Anaconda or already have NumPy installed from any other source, 
        then you should be fine just running ``pip install -r requirements/development.txt``.
        
        If you don't have NumPy, you might get a cryptic 
        ``No files/directories in /tmp/pip-install-xxxxx/ProDy/pip-egg-info (from PKG-INFO)`` error during this step.
        
        To resolve it, just install NumPy manually: ``pip install numpy>=1.10``, and then re-run the command above.
        
        Usage
        -----
        
        Some basic examples are included in the examples directory.
        
        
Keywords: cluspro protein PDB
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: MacOS
Classifier: Operating System :: POSIX
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
