Metadata-Version: 2.1
Name: knot-pull
Version: 0.2.0
Summary: Simplifier of 3D structures of molecules
Home-page: https://github.com/dzarmola/knot_pull
Author: Aleksandra Jarmolinska
Author-email: dzarmola@gmail.com
License: UNKNOWN
Keywords: protein chromatine topology knot dowker
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Programming Language :: Python :: 2
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
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Requires-Python: >=2.7.*
Description-Content-Type: text/markdown
Requires-Dist: numpy


.. image:: http://img.shields.io/pypi/l/knot_pull.svg?style=flat
    :alt: License
    :target: https://pypi.org/project/knot_pull

.. image:: http://img.shields.io/pypi/v/knot_pull.svg?style=flat
    :alt: PyPI Package latest release
    :target: https://pypi.org/project/knot_pull

..  image:: https://img.shields.io/pypi/pyversions/knot_pull.svg
    :alt: Supported versions
    :target: https://pypi.org/project/knot_pull

..  image:: https://travis-ci.org/dzarmola/knot_pull.svg?branch=master
    :alt: Travis CI build passing
    :target: https://pypi.org/project/knot_pull

..  image:: https://codecov.io/gh/dzarmola/knot_pull/branch/master/graph/badge.svg
    :alt: Code coverage
    :target: https://pypi.org/project/knot_pull

..  image:: https://img.shields.io/pypi/wheel/knot_pull.svg
    :alt: Wheel packaging support
    :target: https://pypi.org/project/knot_pull


KnotPull reduces a user provided 3D structure, to simplify it,
while preserving the topology of the chain. It has been successfully
used for knot detection in proteins and chromatine chains.

It can return either a final, simplified structure, or a .pdb formatted
trajectory of consecutive simplifications performed.

Finally, it can give a knot type assignment (including connected knots and links)
of the simplified structure (using the Dowker notation for topology detection).


