Biobb Virtual Screening changelog¶
In version 3.7.1 some minor bugs have been fixed.
- Minor bug fixes in AutoDockVinaRun
In version 3.7.0 the dependency biobb_common has been updated to 3.7.0 version.
- Update to biobb_common 3.7.0 (general)
In version 3.6.0 the dependency biobb_common has been updated to 3.6.0 version.
- Update to biobb_common 3.6.0 (general)
In version 3.5.1 the tools fpocket and autodock_vina have been renamed to fpocket_run and autodock_vina_run in order to avoid conflicts with the wrapped softwares.
- Tools fpocket and autodock_vina renamed to fpocket_run and autodock_vina_run
The version 3.5.0 is the first release of biobb_vs. There have been added the fpocket and autodock-vina tools as well as utilities for getting a binding site, calculate box or extract a desired model from a PDBQT file.
- First release
- Fpocket module: FPocket, FPocketFilter and FPocketSelect tools
- Vina module: AutoDockVina tool
- Utils module: BindingSite, Box, BoxResidues and ExtractModelPDBQT tools