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I seem to be having an issue with getting the binary version of the Dunbrack library to load properly in PyRosetta on Windows and I was wondering if anyone knows if there is a fix for it. Obviously it takes about 30 seconds or so to load the Dunbrack libraries from text so it can turn into a rate-limiting step if you have to read these files a lot.
I am following this tutorial:
When I get to the line:
pose = pose_from_pdb("1YY8.clean.pdb")
it results in an error:
RuntimeError Traceback (most recent call last)
<ipython-input-9-755d9c16f3f1> in <module>()
----> 1 pose = pose_from_pdb("1YY8.clean.pdb")
RuntimeError: unidentifiable C++ exception
When I load a PDB file the coordinates for residue 18 (R1A) reported by pyrosetta do not match those found in the PDB. An example notebook is attached.
What is the reason for this mismatch and how could I fix it? Is it connected to the internal coordinates of R1A.params?
The CB atoms of the other residues (ALA) are correct.
Thank you for your help and best regards,
I'm developing a new protocol using PyRosetta. I hoped to use Rosetta's built-in random functions (numeric::random::gaussian for example) but couldn't find them in PyRosetta under numeric (numeric.random does not exist)
Is there a way to access them?
I remember reading that having a good random generator for stochastic highly-parallelized application is quite important. Does it make sense to use Python's built-in random class in case it did not work with Rosetta's?