# Membrane

## FastRelax Mover with symmetry, ligand and membrane

Category:
Structure prediction
Symmetry
Membrane

Dear all,

Post Situation:

## MPI optimization on TACC stampede2 HPC

Category:
Structure prediction
Loop Modeling
Symmetry
Membrane

Dear community,

I am new to MPI so please correct any misuse of terms. My question is about optimizing for MPI on an HPC or a second (preferred) solution to my issue is to optimize my RAM usage so I don't have to run MPI, serial would actually improve overall models produced anyways.

Post Situation:

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

Category:
Membrane

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!

Post Situation:

## Membrane-bound relaxation constrained by an ED map

Category:
Membrane

I am energy minimising a membrane protein with the RosettaMP framework, but also constraining it to the electron density map.

I am creating the membrane chain vector thinggy by starting with an OPM database style PDB (protein placed ±14 Å xy plane but without the cute membrane marker atoms aren't used) with the usual pyrosetta.rosetta.protocols.membrane.AddMembraneMover('from_structure'), but then I am calling pyrosetta.rosetta.protocols.simple_moves.AlignChainMover() to move the pose (based on the peptide chain) to a pose in the ccp4 map.

Post Situation:

## OptimizeMembranePositionMover - This element is not expected

Category:
Membrane

Hello,

I am receiving the following XML validation error when implementing OptimizeMembranePositionMover:

Error messages were:
From line 11:
Error: Element 'OptimizeMembranePositionMover': This element is not expected.

Post Situation:

## Coupled Moves crash with Membrane Protein - residue_edge is undefined for root vertex

Category:
Design
Membrane

Hi All,

I came across the Coupled Moves protocol recently and it sounds like an interesting alternative to FastDesign that I've been predominantly using. I tried to implement the CoupledMoves Mover within my RosettaScripts design script, however, I keep coming across the following error:

ERROR: FoldTree:: residue_edge is undefined for root vertex
ERROR:: Exit from: src/core/kinematics/FoldTree.cc line: 2317
[0m[0mprotocols.rosetta_scripts.ParsedProtocol: [0m[31m[1m[ ERROR ][0m Exception while processing procotol:

Post Situation:

## Building loop extensions in a membrane protein with Remodel

Category:
Design
Scoring
Loop Modeling
Membrane

Hi All,

I was wondering whether Remodel is currently compatible with the RosettaMP framework? I have a designed membrane protein and I'm trying to alter the sequence of water-exposed loops, which involves a few insertions. I'm using Remodel to do this but haven't been able to run it using the franklin2019 scorefunction.

Here are the flags that I'm using:

Post Situation:

## mp_transform optimize with franklin2019 scoring

Category:
Design
Scoring
Enzyme Design
Membrane

Hi All,

I am running some flexible backbone design on a transmembrane four-helix bundle heme protein via RosettaScripts. I'm finding that the membrane residue is moving a lot during design, and I have to optimize the embedding with mp_transform post-design to reposition the mem residue. I have a few questions about this:

Post Situation: