From 2b526d97e89ffc844519ef27bbae5e523f2b5502 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Mon, 18 Apr 2022 20:31:46 +0100 Subject: [PATCH 1/2] bump version --- PKG-INFO | 4 ++-- prody/__init__.py | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/PKG-INFO b/PKG-INFO index a39bb1034..514e0aa34 100644 --- a/PKG-INFO +++ b/PKG-INFO @@ -1,6 +1,6 @@ Metadata-Version: 1.1 Name: ProDy -Version: 2.1.0 +Version: 2.1.1 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 @@ -95,4 +95,4 @@ Requires: numpy (>=1.10) Requires: pyparsing Requires: biopython Requires: scipy -Provides: prody (2.1.0) +Provides: prody (2.1.1) diff --git a/prody/__init__.py b/prody/__init__.py index 251525d4b..be0cbbb68 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__ = '2.1.0' +__version__ = '2.1.1' __release__ = __version__ # + '-dev' # comment out '-dev' before a release import sys From 67181c6a4c0ede630dc299dd13c1e7c88876938b Mon Sep 17 00:00:00 2001 From: James Krieger Date: Mon, 18 Apr 2022 20:40:23 +0100 Subject: [PATCH 2/2] updated release notes --- docs/release/v2.0_series.rst | 30 ------------------------- docs/release/v2.1_series.rst | 43 ++++++++++++++++++++++++++++++++++++ 2 files changed, 43 insertions(+), 30 deletions(-) create mode 100644 docs/release/v2.1_series.rst diff --git a/docs/release/v2.0_series.rst b/docs/release/v2.0_series.rst index 092e159b0..10861e3ed 100644 --- a/docs/release/v2.0_series.rst +++ b/docs/release/v2.0_series.rst @@ -4,36 +4,6 @@ ProDy 2.0 Series .. contents:: :local: -2.1.0 (April 8, 2022) ------------------------------------------------------------------------------- - -**New Features**: - -*Integration with Scipion* - - * New functions :function:`.parseScipionModes`, :function:`.writeScipionModes` - and :function:`.calcScipionScore` - - * New argument *--export-scipion* (*-S*) in prody apps - -*Other* - - * Added :function:`.assignBlocks` for assigning blocks for RTB - - * Added mmCIF header parsing to create the same header dictionary as PDB header, - including secstr information and biomolecular assembly building - - * New arguments for prody apps, including altloc, zeros, sparse, kdtree and turbo - -**Bug Fixes and Improvements**: - - * Improvement to cealign mapping to be faster for protein only alignment - - * Bug fix for writing psf files - -**Full Changelog**: https://github.com/prody/ProDy/compare/v2.0.2...v2.1.0 - - 2.0.2 (February 17, 2022) ------------------------------------------------------------------------------ diff --git a/docs/release/v2.1_series.rst b/docs/release/v2.1_series.rst new file mode 100644 index 000000000..df15cf6f1 --- /dev/null +++ b/docs/release/v2.1_series.rst @@ -0,0 +1,43 @@ +ProDy 2.0 Series +=============================================================================== + +.. contents:: + :local: + +2.1.1 (April 18, 2022) +------------------------------------------------------------------------------ + +**Bug Fixes and Improvements**: + + * :function:`.parseScipionModes` can handle having a pdb file or not + + * fix to mmCIF header parsing for chemicals in blocks not loops + +2.1.0 (April 8, 2022) +------------------------------------------------------------------------------ + +**New Features**: + +*Integration with Scipion* + + * New functions :function:`.parseScipionModes`, :function:`.writeScipionModes` + and :function:`.calcScipionScore` + + * New argument *--export-scipion* (*-S*) in prody apps + +*Other* + + * Added :function:`.assignBlocks` for assigning blocks for RTB + + * Added mmCIF header parsing to create the same header dictionary as PDB header, + including secstr information and biomolecular assembly building + + * New arguments for prody apps, including altloc, zeros, sparse, kdtree and turbo + +**Bug Fixes and Improvements**: + + * Improvement to cealign mapping to be faster for protein only alignment + + * Bug fix for writing psf files + +**Full Changelog**: https://github.com/prody/ProDy/compare/v2.0.2...v2.1.0