Hi All,
I am getting the following error and wondering what it is, what can cause it and if it is possible to bypass it.
--- frame 1 score inf --- writing coordinates Traceback (most recent call last): File "MT-DCX-EM-6tub.py", line 281, in <module> mc1.execute_macro() File "C:\Program Files\IMP-2.10.1\python\IMP\pmi\macros.py", line 545, in execute_macro output.write_pdb_best_scoring(score) File "C:\Program Files\IMP-2.10.1\python\IMP\pmi\output.py", line 367, in write_pdb_best_scoring exec(open(self.best_score_file_name).read()) File "<string>", line 1, in <module> NameError: name 'inf' is not defined
It is for modeling of a protein system that was working well when using only crosslinking data, but giving me this error when trying to use either EM or EM + XL as scoring functions. The same EM map and configuration is working fine for a very similar domain (same fold, very similar size). So not sure why it wouldn't work in this case.
Regards, Atefeh
On 1/8/20 2:50 PM, Atefeh Rafiei wrote: > I am getting the following error and wondering what it is, what can > cause it and if it is possible to bypass it. > > --- frame 1 score inf
This can sometimes happen with the EM restraint when given a bad starting conformation. Usually running the script again (assuming you are doing a shuffle-conformation, which gives you a random starting structure) will resolve it.
Ben
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Atefeh Rafiei -
Ben Webb