Metadata-Version: 2.1
Name: fragalysis
Version: 0.6.0
Summary: Library for fragment based analysis
Home-page: https://github.com/xchem/fragalysis.git
Author: Rachael Skyner
Author-email: rachael.skyner@diamond.ac.uk
License: Apache 2.0
Description: Fragalysis
        ==========
        
        Basic RDKit based Python tools for analysis of protein-ligand interactions.
        
        Currently contains the following: -
        
        1.  Clustering - based on WONKA method - but separated from that code-base.
            Cluster waters, residues, ligands and pharmacophores. (Under development)
        2.  Astex Fragment Network - implementation on the basis of their recent paper
        3.  Conformer generation code - based on known X-ray structures
        
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Topic :: Software Development :: Build Tools
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 2.6
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.2
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Provides-Extra: test
Provides-Extra: dev
