When performing the tutorial for conformational sampling using the p38.pdb (actually any pdb file) I am unable to continue after: showSqFlucts(p38_anm_ext) command, I got the error:
TypeError Traceback (most recent call last)
in ()
----> 1 showSqFlucts(p38_anm_ext)
/path/plotting.py in showSqFlucts(modes, *args, **kwargs)
548
549 show_hinge = kwargs.pop('hinge', False)
--> 550 sqf = calcSqFlucts(modes)
551 if not 'label' in kwargs:
552 kwargs['label'] = str(modes)
/path/analysis.py in calcSqFlucts(modes)
253 return (modes._getArray() ** 2)
254 else:
--> 255 sq_flucts = np.zeros(modes.numAtoms())
256 if isinstance(modes, VectorBase):
257 modes = [modes]
TypeError: 'float' object cannot be interpreted as an integer
I followed the tutorial step by step and everything was ok until this command. Then I cannot perform any ampling calculations, I got the "TypeError: 'float' object cannot be interpreted as an integer "
Thank you very much in advance.
TypeError: 'float' object cannot be interpreted as an integer
When performing the tutorial for conformational sampling using the p38.pdb (actually any pdb file) I am unable to continue after: showSqFlucts(p38_anm_ext) command, I got the error:
TypeError Traceback (most recent call last)