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,
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.