“No Python class registered…” when trying to access SymDofs

[Anonymous]

I can create symmetric systems without any issue in PyRosetta, but I can’t access the symmetric dofs at any stage. It produces a message like this:

In [84]: dofs = symm_info.get_dofs()

---

TypeError Traceback (most recent call last)
in ()
—-> 1 dofs = symm_info.get_dofs()

TypeError: No Python class registered for C++ class std::map, std::allocator > >

I want to use the symmetry-enabled rigid body movers, which don’t seem to work unless you can pass them the SymDofs in the constructor, and this message is produced even though the C++ signatures match; setting the initial pose doesn’t do anything, either. Is there an alternative approach to do this, or is it a shortcoming in the current PyRosetta version?

[Anonymous]

Hi Pitmand,

So in order for this to work, we will need to add that specific std::map type to the PyRosetta compile machinery. I will ask Sergey if he can add this sometime soon. If you are a developer, I can lead you to where you will need to add it and then compile PyRosetta.

I’m not familiar enough with the symmetry code to lead Sergey specifically to what symm_info class is. He may know. Can you post the constructor you use for symm_info, and then we can track it down?

If your not a developer, we will need to add this to the Rosetta C++ code, and then it will be available with the next PyRosetta – which SHOULD be releasing each week or with every Rosetta revision.

-Jared

[Anonymous]

Thanks for replying. I’m not a developer, but I’m pulling the latest PyRosetta from git so I can get the latest change whenever it’s pushed.

The symm_info object is the class “rosetta.core.conformation.symmetry.SymmetryInfo”. I access it from the pose object once said pose has been symmetrized using core.pose.symmetry.make_symmetric_pose:

symm_conf = pose.conformation()
symm_info = symm_conf.Symmetry_Info()

I think I found similar calls regarding SymDofs elsewhere, but I can’t remember where they are. Let me know if there’s more information I can provide.

[Anonymous]

Hi Pitmand,

I just added binding for that map class so it should appear within ~week in our release builds.

Best,

[Author]

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