Release v2.2.6

🎉 New Release

Available Downloads

Python Package

• Wheel: hbat-2.2.6-py3-none-any.whl
• Source: hbat-2.2.6.tar.gz

Standalone Applications

• macOS: hbat-2.2.6.dmg
• Linux:
  • hbat-linux-binaries-2.2.6.zip - Standalone executables (HBAT-GUI and hbat)
  • HBAT-2.2.6-x86_64.AppImage - AppImage package
  • hbat_2.2.6_amd64.deb - Debian package

Conda Package

• hbat-2.2.6-py0.conda

Documentation

• hbat-docs-2.2.6.zip - Full HTML documentation

Installation

PIP:

pip install https://github.com/abhishektiwari/hbat/releases/download/v2.2.6/hbat-2.2.6-py3-none-any.whl

PyPI:

pip install hbat

Conda:

conda install -c hbat hbat

Release v2.2.5

🎉 New Release

Available Downloads

Python Package

• Wheel: hbat-2.2.5-py3-none-any.whl
• Source: hbat-2.2.5.tar.gz

Standalone Applications

• macOS: hbat-2.2.5.dmg
• Linux:
  • hbat-linux-binaries-2.2.5.zip - Standalone executables (HBAT-GUI and hbat)
  • HBAT-2.2.5-x86_64.AppImage - AppImage package
  • hbat_2.2.5_amd64.deb - Debian package

Conda Package

• hbat-2.2.5.tar.bz2 or .conda

Documentation

• hbat-docs-2.2.5.zip - Full HTML documentation

Installation

pip:

pip install https://github.com/abhishektiwari/hbat/releases/download/v2.2.5/hbat-2.2.5-py3-none-any.whl

PyPI:

pip install hbat

Conda:

conda install -c hbat hbat

Release v2.2.4

Add/build artifacts on pr (#21)

* Add artifact build on PR without distributing
* Adding PR Conda Pre-release workflow
* Fixed PDB file name

Release v2.2.3

Fixing install of PDBfixer (#20)

* Fixing install of PDBfixer & Update docs for PDBFixer

Release v2.2.0

What's Changed

• Adding ability to add fix missing hydrogen atom using Open Babel and PDBFixer
• Refactored core data structures to hold Atom, Bond, Residue under structure module
• Refactored MolecularInteraction - now inherited by other interaction e.g. HydrogenBond, HalogenBond, etc.
• Moved from dataclass to normal Python class for most of modules
• Added CCD data support for Atom and Bonds
• Refactored the constants
• Refactored the bond detection logic - now use CONECT, Residue Template Lookup in addition to distance by bond inference

Full Changelog: v2.1.11...v2.2.0

Release v2.1.11

Remove toolbar, clean help options, fix result filter, and double cli…

Release v2.1.10

Added Conda installation and badge (#14)

Added Conda installation and badge

Release v2.1.9

Fixing anaconda parameter (#13)

Fixing anaconda parameter (#13)

Release v2.1.8

Change conda distribution channel to org hbat

Change conda distribution channel to org hbat

Release v2.1.7

Fix the upload file regex for Conda (#11)

Fix the upload file regex for Conda (#11)