There has been recent changes in Vina web services that makes it impossible to run Vina in Remote (Opal Web Services) mode. I’ve uploaded new updates to fix this.  Please use PyRx > Help > Check for Updates… menu to apply this update if you are using Linux or PyRx 0.9.7 or higher on Windows.…

We are pleased to announce the release of PyRx 0.9.7. We have upgraded Python interpreter on Windows to 64 bit version that allows users to work with larger molecules. Other major changes in this release include: For Inverse Virtual Screening with Vina, we now have preferences page where users can specify maximum number of Macromolecules…

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…

 We are pleased to announce the release of PyRx 0.9.5. Major changes in this release include: Fixed a bug when toggling hydrogen bonds using toolbar icon. PyRx can now run docking for molecules that have quotes in their names, like in 3-hydroxy-5_7_3’_4’_5′-pentamethoxyflavone. Added balloon widget to draw labels when the mouse stays above a molecule.…

2016 has been a great year for PyRx. We have passed 35k downloads, which is excellent for a scientific software. There have been many new publications mentioning PyRx; it’s nice seeing PyRx used for research ranging from Anticancer to Zika. PyRx now has a Facebook page and we also run Facebook and Googe AdWords advertising.…