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Update release history.
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sobolevnrm committed Aug 5, 2021
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17 changes: 0 additions & 17 deletions ChangeLog.md
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# These are notes for the current version of PDB2PQR

Please see http://www.poissonboltzmann.org/pdb2pqr/release-history for the complete release history


## NEW FEATURES
* PDB2PQR can no longer be run in Python 2.x.
* PDB2PQR uses PROPKA 3.1 now which add support protein-ligand complexes.
* Added support for reading mmCIF formatted files.
* SCons builder has been updated to 3.1.1

## BUG FIXES
* Miscellaneous bugs were fixed. See closed issues in repo.

## CHANGES
* The networkx library is required for pdb2pka.

## KNOWN BUGS
* If more than one extension is run from the command line and one of the extensions modifies the protein data structure it could affect the output of the other extension. The only included extensions that exhibit this problem are resinter and newresinter.
* PDB2PKA currently leaks memory slowly. Small jobs will use about twice the normally required RAM (ie ~14 titratable residues will use 140MB). Big jobs will use about 5 times the normally required RAM ( 60 titratable residues will use 480MB ). We are working to fix this.
25 changes: 20 additions & 5 deletions docs/releases.rst
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Release history
###############

****************
Upcoming release
****************
******************
3.2.0 (2021-08-04)
******************

Additions
=========

* Added documentation on how to contribute (`#183 <https://github.com/Electrostatics/pdb2pqr/pull/183>`_).

Fixes
=====

* Fixed problematic ``PotentialBond`` sourcing (`#206 <https://github.com/Electrostatics/pdb2pqr/pull/206>`_).
* Fixed missing ``HN`` atom in ``CYM`` residue (`#197 <https://github.com/Electrostatics/pdb2pqr/pull/197>`_).
* Fixed assignment of elements in created atoms (`#195 <https://github.com/Electrostatics/pdb2pqr/pull/195>`_).
* Fixed double-letter element PDB parsing error (`#194 <https://github.com/Electrostatics/pdb2pqr/pull/194>`_).
* Fixed broken links in documentation (`#184 <https://github.com/Electrostatics/pdb2pqr/issues/184>`_).

Changes
=======

* Improved documentation of constants in modules.

* Improved handling of improperly formatted PDB records that are not ``HETATM`` or ``ATOM``.
* Improved handling of improperly formatted PDB records that are not ``HETATM`` or ``ATOM`` (`#170 <https://github.com/Electrostatics/pdb2pqr/issues/170>`_, `#210 <https://github.com/Electrostatics/pdb2pqr/issues/210>`_).
* Removed versioneer (`#209 <https://github.com/Electrostatics/pdb2pqr/issues/209>_`)
* Removed Pandas requirement (`#179 <https://github.com/Electrostatics/pdb2pqr/issues/179>`_)

******************
3.1.0 (2020-12-22)
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