I have checked the D070_Refinement.py* script provided by the Graylab, and I would like to make my own little refinement script based on it and the other guides and tutorials available.
I have, however, run into problems as the ‘MinMover’ method is not available under pyrosetta.rosetta.protocols.simple_moves which prevents me from using the approach outlined in D070_refinement.py to minimize the pose score.
Initially, I thought that it was a small mistake in the specific version I had download, but it is also not listed in the documentation, so I reckon it is a design choice. (see https://graylab.jhu.edu/PyRosetta.documentation/pyrosetta.rosetta.protocols.simple_moves.html)
Can someone recommend another mover for minimizing a pose score? I have had a look at the documentation, and there but with my limited experience, I could not find a suitable alternative. I have considering writing my own spaghetti code and including that in my routine, but that would not allow me to employ the very nice and transparent ‘SequenceMover()’ method to combine the different movers. Also, I reckon calling some C++ routine for minimization through PyRosetta is much faster than what it can conjure up in python.
Any suggestions would be very welcome – cheers!
OS: MacOS 10.13.6
Python version: 3.6.3
Pyrosetta version: PyRosetta4.Release.python36.mac r183 2018.24
(In the feature I will probably install Pyrosetta on our linux cluster, but for now I am learning the ropes on my labtop – I don’t know if it important)