AF2 输出结果中有 .pkl文件,pkl文件是python的一种存储方式,将python项目中一些暂时变量、需要提取字符串、列表、字典存储成pkl格式的文件。用python 的open、load读取pkl文件
>>> import pickle
>>> file = open('result_model_1.pkl','rb')
>>> info = pickle.load(file)
>>> print(info)
{'distogram': {'bin_edges': array([ 2.3125 , 2.625 , 2.9375 , 3.25 , 3.5625 , 3.875 ,
4.1875 , 4.5 , 4.8125 , 5.125 , 5.4375 , 5.75 ,
....
'logits': array([[[ 1.75906189e+02, 9.28460693e+00, -9.83583450e+00,
......
'experimentally_resolved': {'logits': array([[-3.5461054 , -3.4740696 , -3.5472293 ,
......
'masked_msa': {'logits': array([[[ -0.42031673, -0.6255729 , -0.7225212 ,
......
'predicted_lddt': {'logits': array([[-5.167703 , -6.0159936, -5.120105 ,
......
'structure_module': {'final_atom_mask': array([[1., 1., 1., ..., 0., 0., 0.],
......
'final_atom_positions': array([[[-22.728607 , -18.613485 , 14.481185 ],
......
'plddt': array([51.03757247, 60.50900358, 58.30158118,
......
'ranking_confidence': 93.50815556758259}
>>> log = open("result_model_1.txt","w")
>>> print(info, file=log)