Biobb Analysis 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.
New features¶
- Update to biobb_common 4.1.0 (general)
What’s new in version 4.0.2?¶
In version 4.0.2 the module gmx_trjconv_str_ens has been fixed.
New features¶
- Fixes in gmx_trjconv_str_ens
What’s new in version 4.0.1?¶
In version 4.0.1 the module gmx_cluster has been fixed.
New features¶
- Fixes in gmx_cluster
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 3.9.1?¶
In version 3.9.1 a new output trajectory argument has been added to cpptraj_rms building block .
New features¶
- New output trajectory argument added to cpptraj_rms (ambertools module)
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 GROMACS has been updated from 2019.1 to 2022.2. Ambertools has been updated from 20.0 to 22.0 as well.
New features¶
- Update to biobb_common 3.8.1 (general)
- Update to GROMACS 2022.2 (gromacs module)
- Update to Ambertools 22.0 (ambertools module)
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 3.6.0?¶
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)
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)
- New extended and improved JSON schemas (Galaxy and CWL-compliant) (general)
Other changes¶
- New docstrings
What’s new in version 3.0.2?¶
In version 3.0.2 the dependency biobb_common has been updated to 3.0.1 version.
New features¶
- Update to biobb_common 3.0.1
What’s new in version 3.0.1?¶
In version 3.0.1 Ambertools has been updated from 19.10 to 20.0. A new conda installation recipe has been introduced.
New features¶
- Update to Ambertools 20.0 (ambertools module)
What’s new in version 3.0.0?¶
In version 3.0.0 Python has been updated to version 3.7. 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)
- 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)