Membrane

Dear users,

I am trying to run the RosettaMP application to predict the effect of several mutations on the stability of a membrane protein. I am following this documentation to do that :"https://www.rosettacommons.org/docs/latest/application_documentation/membrane_proteins/RosettaMP-App-MPddG"

However, I can not locate the "compute_ddg.py" in the expected derectory (source/src/python/bindings/app/membrane/compute_ddG.py).

Good day, 

I am having issues with the mp_relax protocol. I am testing the protocol directly from a PDB crystal structure, and the relax algorithm takes this structure out from the membrane region (as defined by the MEM residue). I am first optimizing the membrane location with the mp_transform (with the -mp:transform:optimize_embedding true option), which positions the protein in the membrane as expected. Then, the relax protocol pulls out the protein from this "correct" membrane position, leaving the protein completely exposed to solvent.

Dear all,

I am doing an efficiency analylis on the different minimization options in Rosetta using FastRelax, MPRelax and lbfgs_armijo_nonmonotone minimizer on a membrane protein using the franklin2019 score function and I very very often get this error:

core.optimization.LineMinimizer: [ ERROR ] Inaccurate G!