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Merge pull request #1474 from jamesmkrieger/v2.0.2rc
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Final release changes
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jamesmkrieger authored Feb 17, 2022
2 parents baad99a + 8d166cc commit af92048
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29 changes: 29 additions & 0 deletions docs/release/v2.0_series.rst
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Expand Up @@ -4,6 +4,35 @@ ProDy 2.0 Series
.. contents::
:local:

2.0.2 (February 17, 2022)
------------------------------------------------------------------------------

**New Features**:

* Added :function:`.realignModes` for comparing sets of modes calculated on unaligned
structures

* New option *by_time* in :function:`.showProjection`, allowing projections onto 1 PC
and the frames sampled over the time course of a simulation or the conformers in an ensemble.

* Updates to ClustENM(D) to use latest and more efficient OpenMM version, 7.6

* New :function:`.parseGromacsModes` for parsing NMA and PCA modes calculated in Gromacs,
allowing the use of all-atom force fields and more efficient handling of large trajectories

**Bug Fixes and Improvements**:

* Bug fixes to searchPfam and fetchPfamMSA, which no longer worked due to some security change.

* Bug fix to Ensembles and Conformations for weights being indexed twice

* Bug fix to --quiet option of apps that fixes the VMD ProDy interface

* General documentation and error improvements

**Full Changelog**: https://github.com/prody/ProDy/compare/v2.0.1...v2.0.2


2.0.1 (Dec 20, 2021)
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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__ = '2.0.1'
__version__ = '2.0.2'
__release__ = __version__ # + '-dev' # comment out '-dev' before a release

import sys
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