# Biobb Structure Utils changelog ## What's new in version [5.2.1](https://github.com/bioexcel/biobb_amber/releases/tag/v5.2.1)? ### Changes * [UPDATE] Update to biobb_common 5.2.2 ## What's new in version [5.2.0](https://github.com/bioexcel/biobb_amber/releases/tag/v5.2.0)? ### Changes * [UPDATE] Update to biobb_common 5.2.0 ## What's new in version [5.1.0](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v5.1.0)? ### Changes * [UPDATE]: Update to biobb_common 5.1.0 ## What's new in version [5.0.0](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v5.0.0)? ### Changes * [FIX](all): Accept lists in different formats on input properties. * [CI/CD](linting_and_testing.yml): Update set-up micromamba. * [CI/CD](linting_and_testing): Update GA test workflow to Python >3.9 * [DOCS](.readthedocs.yaml): Updating to Python 3.9 * [CI/CD](GITIGNORE): Update .gitignore to include the new file extensions to ignore * [FEATURE](__init__): Importing submodules when a module is loaded * [CI/CD](conf.yml): Change test conf.yml to adapt to new settings configuration * [FEATURE] New sandbox_path property ## What's new in version [4.2.0](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v4.2.0)? In version 4.2.0 the dependency biobb_common has been updated to 4.2.0 version. ### New features * Update to biobb_common 4.2.0 (general) ## What's new in version [4.1.0](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v4.1.0)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v4.0.0)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.9.0)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.8.0)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.7.6)? In version 3.7.6 compatibility PDBQT ## What's new in version [3.7.4](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.7.4)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.7.3)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.7.1)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.7.0)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.6.1)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.6.0)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.5.3)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.5.2)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.5.1)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.5.0)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.0.1)? 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](https://github.com/bioexcel/biobb_structure_utils/releases/tag/v3.0.0)? 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)