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Merge pull request #1652 from jamesmkrieger/v2.4.0_release_prep
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release prep
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jamesmkrieger authored Feb 3, 2023
2 parents 89d522c + 9f41b06 commit 01d5313
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2 changes: 1 addition & 1 deletion PKG-INFO
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Metadata-Version: 1.1
Name: ProDy
Version: 2.3.1
Version: 2.4.0
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
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42 changes: 42 additions & 0 deletions docs/release/v2.4_series.rst
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ProDy 2.4 Series
===============================================================================

.. contents::
:local:


2.4.0 (Feb 2, 2023)
------------------------------------------------------------------------------

**New Features**:

* New function alignBioPairwise to address Biopython deprecation
* Added gromos rmsd clustering
* New data_type option for refineEnsemble to use seqid instead of rmsd
* New ignore_ids option for mergeMSA to use different ids for interacting proteins

**Bug Fixes and Improvements**:

* Fixed error during writeout PQR file
* Proper handling of fragments when bonds are absent
* Setting the atoms for ensemble even if the atoms is a subset
* Allowing setFlags to take scalar values
* Transpose princ axes matrix to get columns
* New flag selpdbter to keep ter lines in selections
* No sorting of strands in writing
* Add cif datafiles to setup
* Select app help fix
* Fixes to mmcif parsing
* Improvements to cutoffs in Dali filtering
* Fix to protein definition
* Set matrix interactive to false and fix to axes3d usage for matplotlib 3.6
* Improved requirements
* Fix to fetchPDB for files with two dots but not gz ending

**New Contributors**:

* @changephilip made their first contribution in https://github.com/prody/ProDy/pull/1618
* @odcambc made their first contribution in https://github.com/prody/ProDy/pull/1634
* @hrnciar made their first contribution in https://github.com/prody/ProDy/pull/1372

**Full Changelog**: https://github.com/prody/ProDy/compare/v2.3.1...v2.4.0
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__ = '2.3.1'
__version__ = '2.4.0'
__release__ = __version__ # + '-dev' # comment out '-dev' before a release

import sys
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