Biobb Structure Utils changelog
What’s new in version 4.1.0?
In version 4.1.0 the dependency biobb_common has been updated to 4.1.0 version. Also biobb_structure_checking has been updated from 3.12.1 to 3.13.4.
New features
Update to biobb_common 4.1.0 (general)
Update to biobb_structure_checking 3.13.4 (utils module)
What’s new in version 4.0.0?
In version 4.0.0 the dependency biobb_common has been updated to 4.0.0 version.
New features
Update to biobb_common 4.0.0 (general)
What’s new in version 3.9.0?
In version 3.9.0 the dependency biobb_common has been updated to 3.9.0 version.
New features
Update to biobb_common 3.9.0 (general)
All inputs/outputs are checked for correct file format, extension and type (general)
What’s new in version 3.8.0?
In version 3.8.0 the dependency biobb_common has been updated to 3.8.1 version. Also biobb_structure_checking has been updated from 3.9.11 to 3.10.1.
New features
Update to biobb_common 3.8.1 (general)
Update to biobb_structure_checking 3.10.1 (utils module)
What’s new in version 3.7.6?
In version 3.7.6 compatibility PDBQT
What’s new in version 3.7.4?
In version 3.7.4 ExtractResidues block has been added.
Other changes
Add keep_canonical_resnames option added to StrCheckAddHydrogens
What’s new in version 3.7.3?
In version 3.7.3 some minor bugs have been fixed.
Other changes
Minor bug fixes in StrCheckAddHydrogens
What’s new in version 3.7.1?
In version 3.7.1 some minor bugs have been fixed.
Other changes
Minor bug fixes in CatPDB
Minor bug fixes in ExtractChain
Minor bug fixes in ExtractHeteroAtoms
Minor bug fixes in ExtractModel
Minor bug fixes in ExtractMolecule
Minor bug fixes in StrCheckAddHydrogens
Minor bug fixes in StructureCheck
What’s new in version 3.7.0?
In version 3.7.0 the dependency biobb_common has been updated to 3.7.0 version.
New features
Update to biobb_common 3.7.0 (general)
What’s new in version 3.6.1?
In version 3.6.1 the dependency biobb_structure_checking has been updated to 3.8.5 version.
New features
Update to biobb_structure_checking 3.8.5
What’s new in version 3.6.0?
In version 3.6.0 the dependency biobb_common has been updated to 3.6.0 version
New features
Update to biobb_common 3.6.0 (general)
Update to Biopython 1.79 (general)
What’s new in version 3.5.3?
In version 3.5.3 the tool extract_protein has been renamed to extract_molecule.
New features
Tool extract_protein renamed to extract_molecule
What’s new in version 3.5.2?
In version 3.5.2 the dependency biobb_structure_checking has been updated to 3.7.3 version. New tool for checking structures.
New features
Update to biobb_structure_checking 3.7.3
New StructureCheck tool
What’s new in version 3.5.1?
In version 3.5.1 the dependency biobb_structure_checking has been updated to 3.5.3 version.
New features
Update to biobb_structure_checking 3.5.3
What’s new in version 3.5.0?
In version 3.5.0 the dependency biobb_common has been updated to 3.5.1 version. Also, there has been implemented the new version of docstrings, therefore the JSON Schemas have been modified.
New features
Update to biobb_common 3.5.1 (general)
Update to Biopython 1.78 (general)
New extended and improved JSON schemas (Galaxy and CWL-compliant) (general)
Other changes
New docstrings
What’s new in version 3.0.1?
In version 3.0.1 the dependency biobb_common has been updated to 3.0.1 version. New tool for adding hydrogens to a 3D structure.
New features
Update to biobb_common 3.0.1
New StrCheckAddHydrogens tool
Other changes
Bug fixes in CatPDB
Bug fixes in ExtractChain
Bug fixes in ExtractHeteroAtoms
Bug fixes in ExtractModel
Bug fixes in ExtractProtein
Bug fixes in RemovePdbWater
What’s new in version 3.0.0?
In version 3.0.0 Python has been updated to version 3.7 and Biopython to version 1.76. Big changes in the documentation style and content. Finally a new conda installation recipe has been introduced.
New features
Update to Python 3.7 (general)
Update to Biopython 1.76 (general)
New conda installer (installation)
Adding type hinting for easier usage (API)
Deprecating os.path in favour of pathlib.path (modules)
New command line documentation (documentation)
Other changes
New documentation styles (documentation)