I want to do docking using cyclodextrin and molecule, without using protein. Can you please tell me if it can be done somehow? Because if I load cyclodextrin into the Target field, the program gives an error.
Error message:
AMDOCK: NEW PROJECT...
AMDOCK: Defining Initial Parameters...
AMDOCK: DOCKING_PROGRAM: AutoDock4
AMDOCK: WDIR: C:\Users\alexa\Desktop\AMDock\new2
AMDOCK: Traceback (most recent call last):
AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\AMDock\input_tab.py", line 1092, in prepare_receptor
AMDOCK:
AMDOCK: self.target_info = PDBINFO(self.AMDock.target.input)
AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\AMDock\tools.py", line 191, in init
AMDOCK:
AMDOCK: self.center = self.mol.getCenter()
AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\MolKit\molecule.py", line 1578, in getCenter
AMDOCK:
AMDOCK: self.center = sum(coords)/(len(coords)*1.0)
AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\numpy\oldnumeric\functions.py", line 22, in sum
AMDOCK:
AMDOCK: return np.sum(x, axis)
AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\numpy\core\fromnumeric.py", line 2076, in sum
AMDOCK:
AMDOCK: initial=initial)
AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\numpy\core\fromnumeric.py", line 84, in _wrapreduction
AMDOCK:
AMDOCK: return reduction(axis=axis, out=out, **passkwargs)
AMDOCK: TypeError
AMDOCK: :
AMDOCK: 'ChainSet' object is not callable
AMDOCK:
I want to do docking using cyclodextrin and molecule, without using protein. Can you please tell me if it can be done somehow? Because if I load cyclodextrin into the Target field, the program gives an error.
Error message: AMDOCK: NEW PROJECT... AMDOCK: Defining Initial Parameters... AMDOCK: DOCKING_PROGRAM: AutoDock4 AMDOCK: WDIR: C:\Users\alexa\Desktop\AMDock\new2 AMDOCK: Traceback (most recent call last): AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\AMDock\input_tab.py", line 1092, in prepare_receptor AMDOCK: AMDOCK: self.target_info = PDBINFO(self.AMDock.target.input) AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\AMDock\tools.py", line 191, in init AMDOCK: AMDOCK: self.center = self.mol.getCenter() AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\MolKit\molecule.py", line 1578, in getCenter AMDOCK: AMDOCK: self.center = sum(coords)/(len(coords)*1.0) AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\numpy\oldnumeric\functions.py", line 22, in sum AMDOCK: AMDOCK: return np.sum(x, axis) AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\numpy\core\fromnumeric.py", line 2076, in sum AMDOCK: AMDOCK: initial=initial) AMDOCK: File "C:\Users\alexa\Downloads\AMDock-win-master\AMDock-win-master\lib\site-packages\numpy\core\fromnumeric.py", line 84, in _wrapreduction AMDOCK: AMDOCK: return reduction(axis=axis, out=out, **passkwargs) AMDOCK: TypeError AMDOCK: : AMDOCK: 'ChainSet' object is not callable AMDOCK: