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error in cyclic design notebook

Open overlord1647 opened this issue 1 year ago • 0 comments

i am trying to run cyclic peptide using the notebook template provided in afdesign. However i get the following error when i run it: 2 af_model = mk_afdesign_model(protocol="fixbb", data_dir="../params/") 3 model.prep_inputs(pdb_filename="trial_wh_A.pdb", chain="A") ----> 4 add_cyclic_offset(af_model, offset_type=2)

Cell In[43], line 17, in add_cyclic_offset(self, offset_type) 15 c_offset[idx] = (32 * c_offset[idx] )/ abs(c_offset[idx]) 16 return c_offset * np.sign(offset) ---> 17 idx = self._inputs["residue_index"] 18 offset = np.array(idx[:,None] - idx[None,:]) 20 if self.protocol == "binder":

KeyError: 'residue_index' the error does not occur when i use getpdb script.

overlord1647 avatar Jun 19 '24 10:06 overlord1647