Biobb Virtual Screening changelog
What’s new in version 4.1.1?
In version 4.1.1 some minor bugs have been fixed.
New features
Minor bug fixes in Utils
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?
In version 4.0.0 the dependency biobb_common has been updated to 4.0.0 version. Also Autodock Vina has been updated from 1.1.2 to 1.2.3.
New features
Update to biobb_common 4.0.0 (general)
Update to Vina 1.2.3 (vina 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 3.8.1?
In version 3.8.1 the AutoDockVinaRun and FPocketRun tools have added the ability to be executed through docker.
New features
Added docker containers for AutoDockVinaRun and FPocketRun tools
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.
New features
Update to biobb_common 3.8.0 (general)
What’s new in version 3.7.1?
In version 3.7.1 some minor bugs have been fixed.
Other changes
Minor bug fixes in AutoDockVinaRun
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 3.5.1?
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.
New features
Tools fpocket and autodock_vina renamed to fpocket_run and autodock_vina_run
What’s new in version 3.5.0?
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.
New features
First release
Fpocket module: FPocket, FPocketFilter and FPocketSelect tools
Vina module: AutoDockVina tool
Utils module: BindingSite, Box, BoxResidues and ExtractModelPDBQT tools