An attempt was made to use virtual screening to design new drugs. I just went into pyrx, uploaded the ligand pdb and protein pdb, and clicked ‘autodock’->’make macromolecule’. However, although the ligand worked well, an error occurred with the protein. Below is the error message that appears.
Traceback (most recent call last):
File “C:Program Files (x86)PyRxlibsite-packagesPyRxmolNavigator.py”, line 136, in OnMakeMacromolecule
mol = self.frame.autodockNav.AddMacromolecule(mol)
File “C:Program Files (x86)PyRxlibsite-packagesPyRxautodockNavigator.py”, line 75, in AddMacromolecule
item = self.autodockTree.macromoleculeTree.treeDict[self.vsModel.receptorFolder]
AttributeError: VSModel instance has no attribute ‘receptorFolder’
Please help me… I’m a beginner who doesn’t even know Python and this is my first time using pyrx.
So, I went into the files that showed up in the error and looked at the line sentences, but I couldn’t see anything different… What should I change to make the error go away?
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