Stephen Haines

Hi Sarkis Just a follow up question. If I have two workspace folders called PyRx_workspace_project1 and PyRx_workspace_project2, can I switch between them by editing the PyRx preferences and choosing the appropriate folder for the AutoDock workspace, and still avoid the logging error? Thanks Stephen

Thanks, that worked. Cheers Stephen

Hi Sargis When I check for updates in PyRx 1.1 it tells me there are no new updates available, but I see in your blog that 1.2 has been released. Will that be made available via the update check process in version 1.1? Regards Stephen

Hi Sargis The following error message occurs in the PyRx logger window for every docking run I perform with Vina. It doesn't seem to affect docking, but it would be nice for it to be fixed so PyRx doesn't switch to the logger tab after each run. ERROR|2025-06-11 13:08:55,207|Open D:\Docking\PyRx\Macromolecules\3ksc_prolegumin_abc_chains\quercetin_3-d-glucoside_uff_e=608.66_out.pdbqt for details. local variable 'targetName' referenced before assignment Regards Stephen

OK, thanks. I look forward to the new python3 version, when it's released. I'll have a play with replacing the Vina and Autodock executables with newer versions in PyRx 1.1.

Thanks, I'll be interested to hear how you get on with your testing of the new versions of Autodock and Vina. Do you have an estimated release date for the next version of PyRx?

Is PyRx going to be updated to support later (and much faster) versions of Autodock and Vina, e,g, Vina-GPU? Or would simply replacing the executables in the PyRx program folder work? Stephen

Thank you for the rapid response and fix!