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Merge pull request #1652 from jamesmkrieger/v2.4.0_release_prep
release prep
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Original file line number | Diff line number | Diff line change |
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ProDy 2.4 Series | ||
=============================================================================== | ||
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.. contents:: | ||
:local: | ||
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2.4.0 (Feb 2, 2023) | ||
------------------------------------------------------------------------------ | ||
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**New Features**: | ||
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* 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 | ||
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**Bug Fixes and Improvements**: | ||
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* 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 | ||
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**New Contributors**: | ||
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* @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 | ||
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**Full Changelog**: https://github.com/prody/ProDy/compare/v2.3.1...v2.4.0 |
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