Biobb Virtual Screening changelog

What’s new in version 5.0.0?

Changes

FIX: Accept lists in different formats on input properties.
CI/CD: Update biobb_common version.
CI/CD: Update set-up micromamba.
CI/CD: Update GA test workflow to Python >3.9
DOCS: Updating to Python 3.9
CI/CD: Update .gitignore to include the new file extensions to ignore
FEATURE: Importing submodules when a module is loaded
CI/CD: Change test conf.yml to adapt to new settings configuration
[FEATURE] New sandbox_path property

What’s new in version 4.2.0?

In version 4.2.0 the dependency biobb_common has been updated to 4.2.0 version.

New features

Update to biobb_common 4.2.0 (general)

What’s new in version 4.1.2?

In version 4.1.2 the code has been updated for being compatible with biopython 1.83 and fpocket version dependency has been fixed to 4.1.

New features

Compatibility with biopython 1.83.
Fpocket fixed to 4.1 version.

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