Metadata-Version: 2.1
Name: pdb2sql
Version: 0.2.2
Summary: PDB parser using SQL queries
Home-page: https://github.com/DeepRank/pdb2sql
Author: ['Nicolas Renaud']
Author-email: n.renaud@esciencecenter.nl
License: Apache Software License 2.0
Description: # PDB2SQL
        
        [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.3232888.svg)](https://doi.org/10.5281/zenodo.3232888)
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        [![Documentation Status](https://readthedocs.org/projects/pdb2sql/badge/?version=latest)](https://pdb2sql.readthedocs.io/en/latest/?badge=latest)
        
        PDB2SQL is a Python package that allows to use SQL queries to handle PDB files.
        This project grew out of the developement of DeepRank.
        
        -   Source code: <https://github.com/DeepRank/pdb2sql>
        -   Documentation: <https://pdb2sql.readthedocs.io>
        
        It provides:
        
        -   a powerful `pdb2sql` object to manipulate PDB data in SQL database
        -   strcuture transformation functions (rotations, translations...)
        -   useful capablities to
            -   calculate structure interface (contact atoms and residues)
            -   calculate structure similarity (iRMSD, lRMSD, FNAT, DockQ...)
        
        
        
Keywords: PDB2SQL
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Natural Language :: English
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3.7
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Description-Content-Type: text/markdown
Provides-Extra: doc
Provides-Extra: test
Provides-Extra: dev
