29 December 2023 0 6K Report

I am currently docking chemical compounds against my target enzyme however, PyRx sometimes gives a random runtime error or some other error and that shuts down the whole program. I somehow managed to locate the location where all the docked pdbqt files are being saved. When I click on analyse results tab and under that insert new item and try to open the saved pdbqt files in order to check their binding affinities, it doesn't allow me to select all the files at once and just allows to select one file. Could anyone please tell me how can I add multiple pdbqt files to analyse their results as I have more than 10000 compounds to check.

Thank you

More Abhay Chopra's questions See All
Similar questions and discussions