Problems with parametrisation

[Anonymous]

Hello, everyone!

I’m trying to create parameters for my REL amino acid, following instructions from https://www.rosettacommons.org/demos/latest/public/design_with_ncaa/README

However, when I run the python script, I get the following error:

nikolaev_d@queen:/home/l_dvoretckaia/rosetta_bin_linux_2015.31.58019_bundle/PARAMETRISATION$ python molfile_to_params.py –clobber –polymer –no-pdb –name RETIN -k retilys.kin retilys.mol

Traceback (most recent call last):

  File “molfile_to_params.py”, line 21, in <module>

    from rosetta_py.io.mdl_molfile import *

ImportError: No module named rosetta_py.io.mdl_molfile

How can I fix it?

Thank you in advance,

Dmitrii

[Anonymous]

The molfile_to_params.py script relies on other files that are in the same directory as it. (Specifically, the rosetta_py directory.) If you copy the molfile_to_params.py script to a new location, you need to copy those files as well.

Alternatively, you can add the path to that directory to your PYTHONPATH environment variable. 

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