PyRx 0.9.6 Release Announcement

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.

096_generateall.png

Individual residues can now be displayed as Balls and Sticks.

displayresidueballsandsticks.png

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.

096_op_ligand_name.png

Option to toggle on and off balloon widget shown below.

096_toggle_balloon.png

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.