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OptimizeMembranePositionMover - This element is not expected

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OptimizeMembranePositionMover - This element is not expected


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.

 6:             <RestrictToRepacking name="rtrp"/>
 7:             <ExtraRotamersGeneric name="extra_chi" ex1="1" ex2="1" extrachi_cutoff="0"/>
 9:     <MOVERS>
10:         <AddMembraneMover name="add_memb" />
11:         <OptimizeMembranePositionMover name="optimize_memb_coor" sfxn="s" score_best="1" starting_z="0" stepsize_angle="0.5"/>
12:         <PackRotamersMover name="pack_rotamers" scorefxn="s" task_operations="rtrp"/>
13:         <MinMover name="minimize_struc" scorefxn="s" chi="1" bb="1" jump="0" type="dfpmin_armijo_nonmonotone" tolerance="0.01"/>
14:     </MOVERS>
15:     <PROTOCOLS>
16:         <Add mover_name="add_memb"/>
Warning messages were:


I've checked my compiled build and I do not think my XML script is incorrect. Otherwise, is this mover not included in public release?

Attached is the crash log.



Post Situation: 
Wed, 2020-07-01 23:21

I've had some problems with this in the past, and it seems like quite a few features of RosettaMP aren't yet fully compatible with RosettaScripts.

I've found that it's generally much easier to do any kind of embedding optimization outside of the RosettScript using the mp_transform application and the -mp:transform:optimize_embedding flag set to true. Also, you can optimize the embedding after any kind of design using the same application. 

When working with membrane proteins in RosettaScripts, its best to always start the script with the AddMembraneMover and MembranePositionFromTopology mover in that order. 

Thu, 2020-07-02 08:50

Thank you for the advice benhardy!

I'm actually resampling a set of known z_coord and angle positions after predicting the peptide orientation and respective energy landscape (Banchmark #1; Alford, R. F., Fleming, P. J., Fleming, K. G., & Gray, J. J. (2020). Protein Structure Prediction and Design in a Biologically Realistic Implicit Membrane. Biophysical journal118(8), 2042–2055.

Thus, my goal is to output representative PDBs of the energy-favorable orientations; I figured the use of the OptimizeMembranePositionMover would help me by specifying the starting z_coord position, z-stepsize, and angle-stepsize for subsequent MP_Relax. Ideally I would like to use Franklin2019 score function to calculate the orientation-favorable poses, hence RosettaScripts. Unfortunately, the mp_transform application doesn't call the Franklin2019 score function (but it's a useful application to be aware of).

Thu, 2020-07-02 11:09