Biobb CMIP changelog
What’s new in version 4.1.1?
Fixed command line paths.
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 4.0.0?
All inputs/outputs are now checked.
What’s new in version 3.9.0?
All operations are now sandboxed
What’s new in version 3.7.8?
Adding compatibility with json box.
New features
Adding json box.
What’s new in version 3.7.6?
Bug fixes in Titration and MIP.
Bug fixes
Adding default for energy_cutoff option.
Removing hardcoded Box from configuration.
Adding quotes to OW probe names.
What’s new in version 3.7.5?
New module prepare_pdb.
New features
New module prepare_pdb.
Bug fixes
Other changes
What’s new in version 3.7.3?
Replace pytraj dependency by mdanalysis.
New features
Replace pytraj dependency by mdanalysis.
Bug fixes
Other changes
What’s new in version 3.7.2?
In version 3.7.2 the modules have been adapted to use biobb_common 3.7.0 and a new module prepare_structure has been added.
New features
New biobb_cmip 3.7.2 (general) compatible with biobb_common 3.7.0
New module prepare_structure to convert standard PDB files to CMIP prepared PDB files.
Bug fixes
Other changes
What’s new in version 3.6.0?
In version 3.6.0 …
New features
New biobb_cmip 3.6 (general)
Bug fixes
Replace container Quay.io badge (documentation)