Metadata-Version: 1.1
Name: pychembldb
Version: 0.1
Summary: ChEMBLdb interface for Python
Home-page: http://github.com/kzfm/pychembldb
Author: Ohkawa Kazufumi
Author-email: kerolinq@gmail.com
License: MIT
Description: ============
         pychembldb
        ============
        
        `pychembldb` is a Python interface for ChEMBLdb
        
        Requirements
        ------------
        * Python 2.7 or later (not support 3.x)
        * MySQL-python >= 1.2.4
        * SQLAlchemy >= 0.8.0b2
        
        
        Setup
        -----
        
        Install
        ~~~~~~~
        
        ::
        
            git clone https://github.com/kzfm/pychembldb.git
            cd pychembldb
            sudo python setup.py install
        
        Setting up engine_url
        ~~~~~~~~~~~~~~~~~~~~~
        
        if you change engine_url, you should set CHEMBL_URI environment variable (default:mysql://root@localhost/chembl_14)
        
        Basic Usage
        -----------
        
        ::
        
            from pychembldb import *
            for target in chembldb.query(Target).filter_by(pref_name="Tyrosine-protein kinase ABL"):
                for assay in target.assays:
                    for activity in assay.activities:
                        print activity.published_value, activity.molecule.structure.standard_inchi_key
        
        History
        -------
        
        0.1 (2013-01-29)
        ~~~~~~~~~~~~~~~~~~
        * first release
        
        
Keywords: chemoinformatics cheminformatics
Platform: UNKNOWN
Classifier: License :: OSI Approved :: MIT License
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX
Classifier: Programming Language :: Python
