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change bibliography to footbibliography
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lilyminium committed Aug 23, 2023
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21 changes: 8 additions & 13 deletions mdaencore/similarity.py
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:Author: Matteo Tiberti, Wouter Boomsma, Tone Bengtsen
The module contains implementations of similarity measures between protein
ensembles described in :cite:p:`b-LindorffLarsen2009`. The implementation and
examples are described in :cite:p:`b-Tiberti2015`.
ensembles described in :footcite:p:`LindorffLarsen2009`. The implementation and
examples are described in :footcite:p:`Tiberti2015`.
The module includes facilities for handling ensembles and trajectories through
the :class:`Universe` class, performing clustering or dimensionality reduction
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+ **Clustering based convergence evaluation** : :func:`ces_convergence`
+ **Dimensionality-reduction based convergence evaluation** : :func:`dres_convergence`
When using this module in published work please cite :cite:p:`b-Tiberti2015`.
When using this module in published work please cite :footcite:p:`Tiberti2015`.
.. _Examples:
Examples
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.. rubric:: References
.. bibliography::
:filter: False
:keyprefix: b-
:labelprefix: ᵇ
.. footbibliography::
Tiberti2015
LindorffLarsen2009
"""
import warnings
import logging
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x2):
"""
Calculate the harmonic ensemble similarity measure
as defined in :cite:p:`b-Tiberti2015`.
as defined in :footcite:p:`Tiberti2015`.
Parameters
----------
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r"""Calculates the Harmonic Ensemble Similarity (HES) between ensembles.
The HES is calculated with the symmetrized version of Kullback-Leibler
divergence as described in :cite:p:`b-Tiberti2015`.
divergence as described in :footcite:p:`Tiberti2015`.
Parameters
----------
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Calculates the Clustering Ensemble Similarity (CES) between ensembles
using the Jensen-Shannon divergence as described in
:cite:p:`b-Tiberti2015`.
:footcite:p:`Tiberti2015`.
Parameters
----------
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Calculates the Dimensional Reduction Ensemble Similarity (DRES) between
ensembles using the Jensen-Shannon divergence as described in
:cite:p:`b-Tiberti2015`.
:footcite:p:`Tiberti2015`.
Parameters
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