THORAT

Error in : <bound method="" runautogrid.tryrun="" of="" \<pyrx.autogridpage.runautogrid;="" proxy="" \<swig="" object="" type="" 'wxpanel="" *'="" at="" 0xb389aa8=""> >> Python 2.6.5 (r265:79096, Mar 19 2010, 21:48:26) [MSC v.1500 32 bit (Intel)] on win32 Type "help", "copyright", "credits" or "license" for more information. >>> adding gasteiger charges to peptide >>> Traceback (most recent call last): File "C:\Program Files (x86)\PyRx\lib\site-packages\PyRx\wxMainFrame.py", line 304, in TryCommand...

I am facing an issue with PyRx during molecular docking and would appreciate your help. I am using PyRx 0.8 on Windows. My receptor and ligands are successfully loaded in the AutoDock Wizard. The receptor is 3TZ3_clean.pdbqt, and I have 10 ligand .pdbqt files selected. However, when I go to: AutoDock Wizard → Select Molecules → Forward PyRx gives the following error: Traceback (most recent call last): File "C:\Program Files (x86)\PyRx\lib\site-packages\PyRx\selectMolecules.py", line 156, in Next...