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Merge pull request #1934 from jamesmkrieger/v2.5.0_release_prep_2
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V2.5.0 release prep
jamesmkrieger authored Aug 14, 2024
2 parents 34fa7be + dfe3153 commit fd07b1d
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2 changes: 1 addition & 1 deletion PKG-INFO
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Metadata-Version: 1.1
Name: ProDy
Version: 2.4.1
Version: 2.5.0
Summary: A Python Package for Protein Dynamics Analysis
Home-page: http://www.csb.pitt.edu/ProDy
Author: James Krieger, She Zhang, Hongchun Li, Cihan Kaya, Ahmet Bakan, and others
39 changes: 39 additions & 0 deletions docs/release/v2.5_series.rst
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ProDy 2.5 Series
===============================================================================

.. contents::
:local:


2.5.0 (Aug 14, 2024)
------------------------------------------------------------------------------

**New Features**:

* InSty module prody/proteins/interactions.py for protein interactions and stability
* WatFinder module prody/proteins/waterbridges.py for analysing water bridges, chains and clusters
* Membrane exANM and exGNM apps
* kmedoid clustering
* Logistic regression for differences between sub-ensembles
* MMTF Parser by @vratins
* Protein-ligand interactions including calcSminaBindingAffinity by @karolamik13
* New support for Interpro Pfam
* New modules for accessing Bioexcel cv19 simulation database (precursor to MDDB)

**Bug Fixes and Improvements**:

* add weights to showProjection and fix colors
* fix catdcd frame selection
* fix showAtomicLines gaps
* update pyproject.toml and setup.py to limit scipy
* fix clustenm saving and loading
* fix adp matrix by @jamesmkrieger
* several fixes related to fetching, parsing and writing pdb and cif files
* limit pyparsing<=3.1.1

**New Contributors**:

* @jyaacoub made their first contribution in https://github.com/prody/ProDy/pull/1750
* @vratins made their first contribution in https://github.com/prody/ProDy/pull/1752

**Full Changelog**: https://github.com/prody/ProDy/compare/v2.4.1...v2.5.0
2 changes: 1 addition & 1 deletion prody/__init__.py
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"""ProDy is a package for Protein Dynamics, Sequence, and Structure Analysis"""

__version__ = '2.4.1'
__version__ = '2.5.0'
__release__ = __version__ # + '-dev' # comment out '-dev' before a release

import sys

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