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Releases: BioPandas/biopandas

Version 0.5.1

01 Aug 17:34
04daaa6
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0.5.1 (01/08/2024)

  • Fix: improves support for writing PDBs with OTHERS records to stream. PR #149. Addresses issue #141.
  • Feature: added method to PandasMmcif that allow to select by model ids. PR #145
  • Dev: switched testing framework entirely to pytest. Drops nose dependency due to version conflicts with Python 3.12 (nose) and 3.8 (nose) PR #146
  • Dev: adds GitHub actions-based CI. PR #149.
  • Avoid inclusion of test scripts and test data in the PyPI release of the Biopandas library. PR #148. Addresses issue #147

Version 0.5.1dev

28 Aug 15:31
1eb121e
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v0.5.1dev

bump version string

Version 0.5.0dev

28 Aug 13:03
32b8deb
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What's Changed

New Contributors

Full Changelog: v0.4.1...v0.5.0dev

What's Changed

New Contributors

Full Changelog: v0.4.1...v0.5.0dev

Version 0.4.1

13 May 14:31
2e26f8d
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Remove walrus operator for Python 3.7 compatibility.

Version 0.4.0

13 May 00:33
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New Features
  • Adds support for extracting structures from PDB files containing multiple models. See the documentation for details. (via Arian Jamasb, PR #101).

  • Adds support for fetching mmCIF (PandasMmcif().fetch_mmcif(uniprot_id='Q5VSL9', source='alphafold2-v2')) and PDB structures (e.g., PandasPdb().fetch_pdb(uniprot_id='Q5VSL9', source="alphafold2-v2")) (via Arian Jamasb, PR #102).

Changes
  • Instead of raising a warning when no ATOM entries are loaded, raise the warning only when neither ATOM nor HETAM entries are loaded.
Bug Fixes
  • None

Version 0.3.0

07 Apr 03:04
d543323
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0.3.0 (04-06-2022)

Downloads
New Features
  • Adds support for parsing mmCIF protein structure files (via Arian Jamasb, PR #94)
Changes
Bug Fixes
  • Fixes a bug where coordinates with more than 4 digits before the decimal point caused a column shift when saving a PDB file. (via PR #90)
  • Fixes a bug where the invert parameter in get_carbon was selecting the wrong case. (via Arian Jamasb PR #96)

Version 0.2.9

30 Aug 11:48
7c41866
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0.2.9 (08-30-2021)

Downloads
New Features
Changes
  • Now also allow .ent and .ent.gz file endings for PDB files. (via PR 82
  • Added Python 3.8 and 3.9 to setup.py in order to support these versions via conda-forge. (via PR 87
Bug Fixes

Version 0.2.8

03 Mar 00:53
a2a1401
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0.2.8 (03-30-2021)

New Features
  • A PandasPdb.read_pdb_from_list method was added analogous to the existing PandasMol2.read_mol2_from_list (via PR 72 by dominiquesydow)
Changes
  • ValueError raising and improved file format error messages for read_pdb and read_mol2 functionality. (via PR 73 by dominiquesydow)
Bug Fixes

None

Version 0.2.7

04 Aug 13:52
8da42c2
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New Features
Changes
Bug Fixes
  • Fix Manifest file to include license file in the PyPI tar.gz file so that BioPandas can be packaged by conda-forge.

Version 0.2.6

04 Aug 01:51
e13418d
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New Features
Changes
  • Uses more modern https queries for the RCSB server via the fetch_pdb function.
  • Updates the documentation (incl. a code of conduct)
Bug Fixes