Home Blog PyRx 0.9.6 Release Announcement
PyRx 0.9.6 Release Announcement PDF Print
Written by Sarkis Dallakian   

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.


blog comments powered by Disqus
 
Get PyRx