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:
-s protein.pdb \
-remodel:blueprint protein_new_loops.bp \
-score:weights franklin2019 \
-in:membrane \
-ex1 -ex2 \
-mp:setup:spanfiles protein.span \
-ignore_unrecognized_res true
-database /mnt/storage/software/apps/Rosetta-3.12/rosetta_bin_linux_2020.08.61146_bundle/main/database \
-remodel:num_trajectory 1000 -remodel:save_top 10 \
-out:path:all output -out:suffix $SLURM_JOBID \
-out:prefix newloops_
When trying to run using these flags, I get the following error:
[FILE]: src/core/conformation/Conformation.cc
[LINE]: 725
[START_MESSAGE]
[ ERROR ] UtilityExitException
ERROR: Incomplete Conformation: Trying to access membrane framework data without initializing with AddMembraneMover. Exiting!
Any help would be greatly appreciated
Hi benhardy,
I got the same error when I docked membrane proteins.
ERROR: Incomplete Conformation: Trying to access membrane framework data without initializing with AddMembraneMover. Exiting!
ERROR:: Exit from: src/core/conformation/Conformation.cc line: 725
Here are my commands:
/rosetta_bin_linux_2018.33.60351_bundle/main/source/bin/docking_protocol.static.linuxgccrelease
-database /rosetta_bin_linux_2018.33.60351_bundle/main/database
-in:file:s protein_A_B.pdb
-mp:setup:spanfiles protein_A_B.span
-out:file:scorefile score.sc
-nstruct 10
-score:weights mpframework_smooth_fa_2012.wts
I wonder that if this is a systematic problem or just that I did something wrong ?
And have you solved your problem yet ?
I would be so thankful for your help.
Hi,
It looks like you're trying to run protein docking rather than loop building with Remodel so I can't really give any advice as I've never tried that.
You may need to include the flag "-in:membrane" to tell the docking protocol that you're working with membrane proteins.
Have you tried using the dedicated membrane protein-protein docking application?
https://www.rosettacommons.org/docs/latest/application_documentation/membrane_proteins/RosettaMP-App-MPDock