Biobb Amber changelog

What’s new in version 5.0.4?

Changes

  • FEATURE: Added support for downloaded or old force fields

What’s new in version 5.0.3?

Changes

  • FIX: Accept lists in different formats for input parameters.

What’s new in version 5.0.2?

Changes

  • FEATURE: Adding new input

  • FIX: Ions in 4p wat bug fixed; loadAmberPrep added in leap bbs

What’s new in version 5.0.0?

Changes

  • FEATURE: Importing submodules when a module is loaded

  • [UPDATE] Adding sandbox_path property to the json schemas

  • [FEATURE] New sandbox_path property

  • [FEATURE] Adding direct_mdin option

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 4.1.0?

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 4.0.1?

In version 4.0.1 some minor bugs have been fixed in leap submodule.

New features

  • Minor bug fixes (leap)

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.

New features

  • Update to biobb_common 4.0.0 (general)

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 3.8.0?

In version 3.8.0 the dependency biobb_common has been updated to 3.8.1 version.

New features

  • Update to biobb_common 3.8.1 (general)

What’s new in version 3.7.1?

In version 3.7.1 entry points have been added to setup.py.

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 3.6.2?

In version 3.6.2 some bugs have been fixed.

New features

  • Sander/Pmemd mdin parser upgraded

What’s new in version 3.6.1?

In version 3.6.1 some bugs have been fixed.

Other changes

  • Bug fixes

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 3.5.0?

New package wrapping AMBER MD tool. In version 3.5.0 the dependency biobb_common has been updated to 3.5.1 version. Also, there has been implemented the new version of docstrings, therefore the JSON Schemas have been modified.

New features

  • New Package biobb_amber

  • Update to biobb_common 3.5.1 (general)

  • New extended and improved JSON schemas (Galaxy and CWL-compliant) (general)

Other changes

  • New docstrings