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
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
Requires-Dist: cython
Requires-Dist: sqlalchemy
Requires-Dist: matplotlib
Requires-Dist: numpy
Requires-Dist: schema
Requires-Dist: tqdm
Requires-Dist: pandas
Provides-Extra: dev
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Provides-Extra: test
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Requires-Dist: pytest-cov ; extra == 'test'
Requires-Dist: pytest-runner ; extra == 'test'

# PDB2SQL

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.3232888.svg)](https://doi.org/10.5281/zenodo.3232888)
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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...)




