From 9f41b0665d54eb81ea42759601643fc675882d3f Mon Sep 17 00:00:00 2001 From: James Krieger Date: Thu, 2 Feb 2023 18:37:35 +0100 Subject: [PATCH] release prep --- PKG-INFO | 2 +- docs/release/v2.4_series.rst | 42 ++++++++++++++++++++++++++++++++++++ prody/__init__.py | 2 +- 3 files changed, 44 insertions(+), 2 deletions(-) create mode 100644 docs/release/v2.4_series.rst diff --git a/PKG-INFO b/PKG-INFO index 1f2ef8857..77ba4faa3 100644 --- a/PKG-INFO +++ b/PKG-INFO @@ -1,6 +1,6 @@ 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 diff --git a/docs/release/v2.4_series.rst b/docs/release/v2.4_series.rst new file mode 100644 index 000000000..fc8504efd --- /dev/null +++ b/docs/release/v2.4_series.rst @@ -0,0 +1,42 @@ +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 diff --git a/prody/__init__.py b/prody/__init__.py index 9c493a62a..91db963e9 100644 --- a/prody/__init__.py +++ b/prody/__init__.py @@ -1,6 +1,6 @@ """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