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.
- 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.
- Adding json box.
What's new in version 3.7.6?
Bug fixes in Titration and MIP.
- 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 module prepare_pdb.
What's new in version 3.7.3?
Replace pytraj dependency by mdanalysis.
- Replace pytraj dependency by mdanalysis.
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 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.
What's new in version 3.6.0?
In version 3.6.0 ...
- New biobb_cmip 3.6 (general)
- Replace container Quay.io badge (documentation)