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de novo modeling of a dimer

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de novo modeling of a dimer
#1

What are the current opportunities for de novo modeling of multimers in rosetta?

I have a short domain that forms a dimer, I do not have starting structure, I want to run de novo modeling and docking in the same time.

Cheers,
Janek

Wed, 2009-08-19 05:55
kosa

you can use the following Rosetta2.3 command line

rosetta.exe aa t000 _ -output_silent -read_all_chains -randomize1 -symm_type cn -pose_fold_and_dock -docking_pose_symmetry -nstruct 9999 -pose1 -slide_contact_frequency 0.01 -rigid_body_frequency 0.01 -rigid_body_cycles 100 -new_centroid_packing -rg_reweight 0.0001 -move_anchor_points -monomer_input -pose_relax -pose_relax_fragment_moves -increase_cycles 20 -output_chi_silent -stringent_relax -ex1 -ex2 -vary_omega -omega_weight 0.5 -docking_pose_symm_full -combinatorial_rms_sym -pose_symm_jump_moves_during_relax -pose_symm_n_monomers 2 -filter1 10000 -filter2 10000 -filter1a 10000 -filter1b 10000

for fold-and-docking a C2 dimer

> What are the current opportunities for de novo modeling of multimers in rosetta?
>
> I have a short domain that forms a dimer, I do not have starting structure, I want to run de novo modeling and docking in the same time.
>
> Cheers,
> Janek

Tue, 2009-09-01 10:41
yangshen