We are pleased to announce the release of PyRx 0.9.6. Major changes in this release include:

When making pdbqt for Macromolecules that have atoms at alternate locations, users can now generate all possible combinations.

Individual residues can now be displayed as Balls and Sticks.

A new option to choose Formula_Title for the name of the ligands when making AutoDock Ligand pdqt files using Open Babel widget. Use PyRx > Edit > Preferences, click on + icon next to Open Babel and select AutoDock Ligand. You’ll see a new option there next to “Name Converted Ligand Using”. There are two options: Title or Formula_Title. If you select Formula_Title, next time when PyRx makes AutoDock ligands using Open Bable, it will name ligands accordingly.

Option to toggle on and off balloon widget shown below.

PyRx 0.9.5 users can update to this release using PyRx > Help > Check for Updates… menu. The list of changes for 0.9.5 version is available at PyRx 0.9.5 Release Announcement.